REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2bo4_1_F DATA FIRST_RESID 2 DATA SEQUENCE SLVVFPFKHE HPEVLLHNVR VAAAHPRVHE VLCIGYERDQ TYEAVERAAP DATA SEQUENCE EISRATGTPV SVRLQERLGT LRPGKGDGMN TALRYFLEET QWERIHFYDA DATA SEQUENCE DITSFGPDWI TKAEEAADFG YGLVRHYFPR ASTDAMITWM ITRTGFALLW DATA SEQUENCE PHTELSWIEQ PLGGELLMRR EVAAMLYEDE RVRRRSDWGI DTLYTFVTVQ DATA SEQUENCE QGVSIYECYI PEGKAHRLYG GLDDLRTMLV ECFAAIQSLQ HEVVGQPAIH DATA SEQUENCE RQEHPHRVPV HIAERVGYDV EATLHRLMQH WTPRQVELLE LFTTPVREGL DATA SEQUENCE RTCQRRPAFN FMDEMAWAAT YHVLLEHFQP GDPDWEELLF KLWTTRVLNY DATA SEQUENCE TMTVALRGYD YAQQYLYRML GRYRYQAALE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.371 174.600 -0.382 0.000 1.055 2 S CA 0.000 58.092 58.200 -0.180 0.000 1.107 2 S CB 0.000 63.177 63.200 -0.038 0.000 0.593 3 L N 2.252 123.396 121.223 -0.132 0.000 2.289 3 L HA 0.798 5.139 4.340 0.002 0.000 0.285 3 L C -1.149 175.590 176.870 -0.218 0.000 1.049 3 L CA -0.175 54.595 54.840 -0.117 0.000 0.804 3 L CB 1.158 43.323 42.059 0.178 0.000 1.195 3 L HN 0.516 nan 8.230 nan 0.000 0.428 4 V N 5.863 125.628 119.914 -0.248 0.000 2.417 4 V HA 0.536 4.657 4.120 0.002 0.000 0.291 4 V C -0.475 175.421 176.094 -0.330 0.000 1.024 4 V CA -0.655 61.452 62.300 -0.321 0.000 0.861 4 V CB 1.849 33.493 31.823 -0.298 0.000 0.985 4 V HN 0.541 nan 8.190 nan 0.000 0.436 5 V N 5.300 124.915 119.914 -0.498 0.000 2.448 5 V HA 0.520 4.641 4.120 0.002 0.000 0.295 5 V C -0.826 175.021 176.094 -0.411 0.000 1.025 5 V CA -0.486 61.577 62.300 -0.397 0.000 0.859 5 V CB 1.611 33.081 31.823 -0.588 0.000 0.988 5 V HN 0.701 nan 8.190 nan 0.000 0.431 6 F N 5.783 125.769 119.950 0.060 0.000 2.325 6 F HA 0.484 5.011 4.527 0.001 0.000 0.369 6 F C -2.271 173.667 175.800 0.229 0.000 1.095 6 F CA -2.498 55.579 58.000 0.128 0.000 1.082 6 F CB 1.531 40.561 39.000 0.051 0.000 1.289 6 F HN 0.315 nan 8.300 nan 0.000 0.462 7 P HA 0.199 nan 4.420 nan 0.000 0.276 7 P C -0.937 176.556 177.300 0.323 0.000 1.230 7 P CA -0.070 63.191 63.100 0.269 0.000 0.776 7 P CB 0.460 32.281 31.700 0.203 0.000 0.888 8 F N 0.779 120.795 119.950 0.109 0.000 2.626 8 F HA 0.690 5.217 4.527 0.001 0.000 0.311 8 F C 0.076 175.890 175.800 0.024 0.000 1.088 8 F CA -0.926 57.113 58.000 0.065 0.000 0.949 8 F CB 1.632 40.670 39.000 0.064 0.000 1.322 8 F HN 0.104 nan 8.300 nan 0.000 0.461 9 K N -0.353 120.080 120.400 0.055 0.000 2.847 9 K HA 0.260 4.581 4.320 0.002 0.000 0.251 9 K C 0.151 176.692 176.600 -0.099 0.000 1.299 9 K CA -0.060 56.073 56.287 -0.256 0.000 0.926 9 K CB 0.247 32.411 32.500 -0.560 0.000 1.824 9 K HN 0.846 nan 8.250 nan 0.000 0.388 10 H N 1.347 120.487 119.070 0.116 0.000 2.567 10 H HA 0.300 4.857 4.556 0.001 0.000 0.267 10 H C -0.622 174.763 175.328 0.095 0.000 1.148 10 H CA -0.223 55.889 56.048 0.108 0.000 1.031 10 H CB 0.437 30.227 29.762 0.046 0.000 1.691 10 H HN 0.252 nan 8.280 nan 0.000 0.588 11 E N 1.008 121.327 120.200 0.198 0.000 2.418 11 E HA -0.045 4.306 4.350 0.002 0.000 0.261 11 E C 0.542 177.208 176.600 0.110 0.000 1.070 11 E CA 0.016 56.504 56.400 0.146 0.000 0.931 11 E CB 0.650 30.425 29.700 0.125 0.000 0.954 11 E HN 0.236 nan 8.360 nan 0.000 0.439 12 H N 4.081 123.169 119.070 0.029 0.000 3.004 12 H HA -0.026 4.531 4.556 0.002 0.000 0.316 12 H C -1.588 173.709 175.328 -0.050 0.000 1.014 12 H CA -1.463 54.584 56.048 -0.001 0.000 1.454 12 H CB 0.912 30.668 29.762 -0.010 0.000 1.472 12 H HN 0.383 nan 8.280 nan 0.000 0.571 13 P HA -0.109 nan 4.420 nan 0.000 0.221 13 P C 0.976 178.281 177.300 0.008 0.000 1.150 13 P CA 0.841 63.890 63.100 -0.086 0.000 0.800 13 P CB 0.557 32.168 31.700 -0.149 0.000 0.787 14 E N -0.104 120.233 120.200 0.229 0.000 2.107 14 E HA -0.057 4.294 4.350 0.002 0.000 0.191 14 E C 2.202 178.806 176.600 0.006 0.000 0.982 14 E CA 0.722 57.179 56.400 0.095 0.000 0.809 14 E CB -0.901 28.855 29.700 0.093 0.000 0.756 14 E HN 0.125 nan 8.360 nan 0.000 0.459 15 V N 1.763 121.675 119.914 -0.004 0.000 2.307 15 V HA -0.223 3.898 4.120 0.002 0.000 0.245 15 V C 2.463 178.498 176.094 -0.098 0.000 1.045 15 V CA 1.327 63.594 62.300 -0.056 0.000 1.024 15 V CB -0.520 31.263 31.823 -0.066 0.000 0.651 15 V HN 0.171 nan 8.190 nan 0.000 0.449 16 L N -0.096 121.039 121.223 -0.146 0.000 2.012 16 L HA -0.177 4.164 4.340 0.002 0.000 0.210 16 L C 2.174 178.812 176.870 -0.387 0.000 1.073 16 L CA 2.007 56.658 54.840 -0.316 0.000 0.748 16 L CB -0.685 41.180 42.059 -0.324 0.000 0.891 16 L HN 0.215 nan 8.230 nan 0.000 0.431 17 L N -1.181 119.893 121.223 -0.248 0.000 2.141 17 L HA -0.212 4.129 4.340 0.002 0.000 0.209 17 L C 2.678 179.448 176.870 -0.167 0.000 1.094 17 L CA 1.271 55.980 54.840 -0.219 0.000 0.763 17 L CB -0.889 41.084 42.059 -0.145 0.000 0.908 17 L HN 0.523 nan 8.230 nan 0.000 0.437 18 H N 0.824 119.782 119.070 -0.187 0.000 2.319 18 H HA -0.166 4.391 4.556 0.002 0.000 0.299 18 H C 1.816 177.050 175.328 -0.156 0.000 1.092 18 H CA 1.916 57.878 56.048 -0.143 0.000 1.302 18 H CB 0.237 29.930 29.762 -0.117 0.000 1.373 18 H HN 0.344 nan 8.280 nan 0.000 0.497 19 N N 0.470 119.000 118.700 -0.283 0.000 2.188 19 N HA -0.117 4.624 4.740 0.002 0.000 0.184 19 N C 2.262 177.505 175.510 -0.444 0.000 1.018 19 N CA 1.027 53.850 53.050 -0.378 0.000 0.858 19 N CB -0.493 37.577 38.487 -0.695 0.000 0.989 19 N HN 0.178 nan 8.380 nan 0.000 0.426 20 V N 1.195 120.741 119.914 -0.613 0.000 2.343 20 V HA -0.210 3.911 4.120 0.002 0.000 0.247 20 V C 2.439 178.459 176.094 -0.125 0.000 1.051 20 V CA 1.506 63.595 62.300 -0.351 0.000 1.036 20 V CB -0.376 31.252 31.823 -0.324 0.000 0.654 20 V HN 0.174 nan 8.190 nan 0.000 0.451 21 R N -0.441 119.952 120.500 -0.177 0.000 2.081 21 R HA -0.113 4.228 4.340 0.002 0.000 0.235 21 R C 2.166 178.394 176.300 -0.121 0.000 1.131 21 R CA 1.353 57.371 56.100 -0.137 0.000 0.960 21 R CB -0.629 29.572 30.300 -0.166 0.000 0.856 21 R HN 0.397 nan 8.270 nan 0.000 0.436 22 V N 0.380 120.193 119.914 -0.168 0.000 2.287 22 V HA -0.269 3.852 4.120 0.002 0.000 0.248 22 V C 2.267 178.364 176.094 0.005 0.000 1.053 22 V CA 2.067 64.291 62.300 -0.126 0.000 1.027 22 V CB -0.758 30.961 31.823 -0.174 0.000 0.646 22 V HN 0.496 nan 8.190 nan 0.000 0.447 23 A N -0.188 122.727 122.820 0.158 0.000 1.898 23 A HA -0.067 4.254 4.320 0.002 0.000 0.216 23 A C 2.387 180.005 177.584 0.056 0.000 1.181 23 A CA 1.935 54.066 52.037 0.156 0.000 0.620 23 A CB -0.734 18.449 19.000 0.305 0.000 0.819 23 A HN 0.578 nan 8.150 nan 0.000 0.442 24 A N -0.415 122.429 122.820 0.039 0.000 1.969 24 A HA 0.245 4.566 4.320 0.002 0.000 0.218 24 A C 2.281 179.867 177.584 0.002 0.000 1.169 24 A CA 1.751 53.793 52.037 0.009 0.000 0.635 24 A CB -0.654 18.345 19.000 -0.002 0.000 0.810 24 A HN 1.029 nan 8.150 nan 0.000 0.445 25 A N -1.782 121.035 122.820 -0.004 0.000 2.178 25 A HA 0.084 4.405 4.320 0.002 0.000 0.211 25 A C 1.091 178.665 177.584 -0.016 0.000 1.157 25 A CA -0.022 52.003 52.037 -0.020 0.000 0.780 25 A CB -0.491 18.480 19.000 -0.048 0.000 0.828 25 A HN 0.588 nan 8.150 nan 0.000 0.476 26 H N 1.180 120.200 119.070 -0.084 0.000 2.848 26 H HA 0.141 4.698 4.556 0.002 0.000 0.317 26 H C -1.646 173.626 175.328 -0.093 0.000 1.046 26 H CA -1.512 54.480 56.048 -0.093 0.000 1.470 26 H CB 1.356 31.050 29.762 -0.113 0.000 1.483 26 H HN 0.094 nan 8.280 nan 0.000 0.548 27 P HA -0.097 nan 4.420 nan 0.000 0.222 27 P C 0.833 178.154 177.300 0.036 0.000 1.147 27 P CA 1.143 64.228 63.100 -0.024 0.000 0.790 27 P CB 0.260 31.911 31.700 -0.082 0.000 0.780 28 R N -0.739 119.875 120.500 0.190 0.000 2.300 28 R HA 0.176 4.517 4.340 0.002 0.000 0.199 28 R C 0.189 176.234 176.300 -0.426 0.000 0.920 28 R CA 0.020 56.082 56.100 -0.063 0.000 1.046 28 R CB 0.226 30.583 30.300 0.095 0.000 0.984 28 R HN 0.074 nan 8.270 nan 0.000 0.493 29 V N 1.964 121.683 119.914 -0.325 0.000 2.383 29 V HA 0.076 4.197 4.120 0.002 0.000 0.275 29 V C 0.540 176.357 176.094 -0.461 0.000 1.036 29 V CA -0.350 61.690 62.300 -0.434 0.000 0.889 29 V CB 1.252 32.919 31.823 -0.260 0.000 0.985 29 V HN 0.263 nan 8.190 nan 0.000 0.459 30 H N 2.909 121.698 119.070 -0.469 0.000 2.705 30 H HA 0.388 4.945 4.556 0.002 0.000 0.269 30 H C 0.515 175.551 175.328 -0.486 0.000 0.998 30 H CA 0.181 55.864 56.048 -0.608 0.000 1.193 30 H CB 0.976 29.998 29.762 -1.233 0.000 1.485 30 H HN 0.741 nan 8.280 nan 0.000 0.521 31 E N 0.280 120.293 120.200 -0.312 0.000 2.380 31 E HA 0.400 4.751 4.350 0.002 0.000 0.281 31 E C -1.761 174.816 176.600 -0.038 0.000 0.999 31 E CA -0.476 55.898 56.400 -0.043 0.000 0.800 31 E CB 2.197 32.028 29.700 0.219 0.000 1.228 31 E HN -0.157 nan 8.360 nan 0.000 0.436 32 V N 3.594 123.528 119.914 0.033 0.000 2.495 32 V HA 0.537 4.658 4.120 0.002 0.000 0.298 32 V C -0.820 175.310 176.094 0.061 0.000 1.031 32 V CA -0.830 61.499 62.300 0.048 0.000 0.871 32 V CB 1.488 33.371 31.823 0.100 0.000 0.988 32 V HN 0.591 nan 8.190 nan 0.000 0.432 33 L N 5.538 126.787 121.223 0.042 0.000 2.349 33 L HA 0.690 5.031 4.340 0.002 0.000 0.278 33 L C -0.614 176.308 176.870 0.087 0.000 0.996 33 L CA 0.116 54.954 54.840 -0.003 0.000 0.825 33 L CB 1.272 43.276 42.059 -0.091 0.000 1.243 33 L HN 0.766 nan 8.230 nan 0.000 0.412 34 C N 6.218 125.594 119.300 0.125 0.000 2.273 34 C HA 0.589 5.050 4.460 0.002 0.000 0.328 34 C C -0.023 175.144 174.990 0.295 0.000 1.275 34 C CA -0.988 58.204 59.018 0.290 0.000 1.704 34 C CB 0.074 27.958 27.740 0.239 0.000 2.326 34 C HN 0.511 nan 8.230 nan 0.000 0.517 35 I N 3.809 124.525 120.570 0.244 0.000 2.330 35 I HA 0.359 4.530 4.170 0.002 0.000 0.286 35 I C 0.894 176.840 176.117 -0.286 0.000 1.025 35 I CA 0.415 61.749 61.300 0.056 0.000 1.197 35 I CB 0.576 38.614 38.000 0.065 0.000 1.358 35 I HN 0.871 nan 8.210 nan 0.000 0.467 36 G N 4.081 112.593 108.800 -0.480 0.000 2.451 36 G HA2 0.186 4.147 3.960 0.002 0.000 0.303 36 G HA3 0.186 4.147 3.960 0.002 0.000 0.303 36 G C 0.221 174.896 174.900 -0.376 0.000 1.166 36 G CA -0.240 44.222 45.100 -1.063 0.000 0.884 36 G HN 0.615 nan 8.290 nan 0.000 0.514 37 Y N 0.375 120.392 120.300 -0.471 0.000 2.220 37 Y HA 0.093 4.644 4.550 0.002 0.000 0.291 37 Y C 1.221 177.004 175.900 -0.195 0.000 1.129 37 Y CA 1.794 59.725 58.100 -0.282 0.000 1.161 37 Y CB 0.333 38.611 38.460 -0.305 0.000 0.997 37 Y HN 0.688 nan 8.280 nan 0.000 0.522 38 E N -0.941 119.190 120.200 -0.116 0.000 2.439 38 E HA 0.197 4.548 4.350 0.002 0.000 0.279 38 E C -1.074 175.423 176.600 -0.172 0.000 1.077 38 E CA -1.068 55.215 56.400 -0.195 0.000 0.849 38 E CB 0.663 30.290 29.700 -0.122 0.000 1.408 38 E HN 0.052 nan 8.360 nan 0.000 0.457 39 R N 1.707 122.046 120.500 -0.269 0.000 3.688 39 R HA 0.042 4.383 4.340 0.002 0.000 0.194 39 R C -0.336 175.982 176.300 0.030 0.000 1.677 39 R CA 0.115 56.062 56.100 -0.254 0.000 1.351 39 R CB -0.437 29.698 30.300 -0.275 0.000 1.338 39 R HN 0.466 nan 8.270 nan 0.000 0.731 40 D N 0.110 120.619 120.400 0.183 0.000 2.530 40 D HA -0.026 4.615 4.640 0.002 0.000 0.282 40 D C 0.440 176.861 176.300 0.202 0.000 1.204 40 D CA -0.341 53.778 54.000 0.198 0.000 1.093 40 D CB 0.485 41.461 40.800 0.293 0.000 1.154 40 D HN 0.197 nan 8.370 nan 0.000 0.593 41 Q N -0.987 118.895 119.800 0.138 0.000 2.119 41 Q HA -0.069 4.272 4.340 0.002 0.000 0.201 41 Q C 2.065 178.124 176.000 0.098 0.000 0.972 41 Q CA 1.587 57.442 55.803 0.087 0.000 0.847 41 Q CB -0.143 28.607 28.738 0.020 0.000 0.903 41 Q HN 0.550 nan 8.270 nan 0.000 0.433 42 T N 0.195 114.842 114.554 0.155 0.000 2.708 42 T HA -0.210 4.141 4.350 0.002 0.000 0.266 42 T C 1.444 176.217 174.700 0.122 0.000 1.037 42 T CA 1.318 63.485 62.100 0.111 0.000 1.146 42 T CB -0.496 68.506 68.868 0.222 0.000 0.865 42 T HN 0.343 nan 8.240 nan 0.000 0.435 43 Y N 2.130 122.597 120.300 0.278 0.000 2.128 43 Y HA -0.186 4.365 4.550 0.001 0.000 0.284 43 Y C 2.501 178.473 175.900 0.120 0.000 1.154 43 Y CA 1.558 59.849 58.100 0.318 0.000 1.149 43 Y CB -0.129 38.523 38.460 0.319 0.000 0.976 43 Y HN 0.236 nan 8.280 nan 0.000 0.505 44 E N -0.331 120.034 120.200 0.276 0.000 2.106 44 E HA -0.173 4.178 4.350 0.002 0.000 0.192 44 E C 2.388 179.005 176.600 0.028 0.000 0.984 44 E CA 0.937 57.434 56.400 0.162 0.000 0.806 44 E CB -0.430 29.353 29.700 0.137 0.000 0.750 44 E HN 0.564 nan 8.360 nan 0.000 0.458 45 A N 1.319 124.133 122.820 -0.011 0.000 1.933 45 A HA -0.114 4.207 4.320 0.002 0.000 0.218 45 A C 2.565 180.074 177.584 -0.125 0.000 1.175 45 A CA 1.146 53.144 52.037 -0.065 0.000 0.628 45 A CB -0.544 18.407 19.000 -0.081 0.000 0.814 45 A HN 0.106 nan 8.150 nan 0.000 0.444 46 V N -0.229 119.560 119.914 -0.208 0.000 2.379 46 V HA -0.216 3.905 4.120 0.002 0.000 0.245 46 V C 2.470 178.427 176.094 -0.229 0.000 1.044 46 V CA 2.092 64.215 62.300 -0.295 0.000 1.036 46 V CB -0.638 30.870 31.823 -0.525 0.000 0.664 46 V HN 0.740 nan 8.190 nan 0.000 0.453 47 E N 0.149 120.213 120.200 -0.226 0.000 2.110 47 E HA -0.261 4.090 4.350 0.002 0.000 0.193 47 E C 2.449 179.008 176.600 -0.067 0.000 0.988 47 E CA 1.255 57.568 56.400 -0.146 0.000 0.804 47 E CB -0.030 29.626 29.700 -0.074 0.000 0.745 47 E HN 0.433 nan 8.360 nan 0.000 0.458 48 R N -0.401 120.068 120.500 -0.053 0.000 2.081 48 R HA -0.092 4.249 4.340 0.002 0.000 0.235 48 R C 2.142 178.417 176.300 -0.042 0.000 1.131 48 R CA 1.341 57.422 56.100 -0.031 0.000 0.960 48 R CB -0.135 30.150 30.300 -0.024 0.000 0.856 48 R HN 0.157 nan 8.270 nan 0.000 0.436 49 A N -0.029 122.752 122.820 -0.066 0.000 2.072 49 A HA 0.115 4.436 4.320 0.002 0.000 0.216 49 A C 2.138 179.685 177.584 -0.063 0.000 1.156 49 A CA 0.979 52.977 52.037 -0.065 0.000 0.701 49 A CB -0.256 18.693 19.000 -0.085 0.000 0.816 49 A HN 0.445 nan 8.150 nan 0.000 0.458 50 A N 0.984 123.761 122.820 -0.072 0.000 1.908 50 A HA -0.052 4.269 4.320 0.002 0.000 0.218 50 A C 0.204 177.770 177.584 -0.030 0.000 1.181 50 A CA 1.880 53.882 52.037 -0.059 0.000 0.627 50 A CB -1.634 17.328 19.000 -0.064 0.000 0.818 50 A HN 0.437 nan 8.150 nan 0.000 0.445 51 P HA -0.177 nan 4.420 nan 0.000 0.216 51 P C 1.385 178.681 177.300 -0.007 0.000 1.153 51 P CA 1.694 64.791 63.100 -0.005 0.000 0.858 51 P CB 0.037 31.736 31.700 -0.002 0.000 0.789 52 E N -0.349 119.842 120.200 -0.014 0.000 2.208 52 E HA -0.102 4.249 4.350 0.002 0.000 0.193 52 E C 1.827 178.416 176.600 -0.017 0.000 0.988 52 E CA 0.935 57.327 56.400 -0.014 0.000 0.828 52 E CB -1.101 28.589 29.700 -0.017 0.000 0.763 52 E HN 0.180 nan 8.360 nan 0.000 0.478 53 I N -0.125 120.429 120.570 -0.025 0.000 2.286 53 I HA -0.212 3.959 4.170 0.002 0.000 0.245 53 I C 2.153 178.262 176.117 -0.014 0.000 1.104 53 I CA 1.044 62.327 61.300 -0.028 0.000 1.397 53 I CB -0.249 37.724 38.000 -0.045 0.000 1.072 53 I HN 0.012 nan 8.210 nan 0.000 0.417 54 S N 0.387 116.084 115.700 -0.004 0.000 2.382 54 S HA -0.187 4.284 4.470 0.002 0.000 0.228 54 S C 2.078 176.686 174.600 0.013 0.000 1.027 54 S CA 1.164 59.371 58.200 0.012 0.000 0.991 54 S CB -0.338 62.875 63.200 0.022 0.000 0.823 54 S HN 0.375 nan 8.310 nan 0.000 0.469 55 R N 1.124 121.628 120.500 0.007 0.000 2.073 55 R HA 0.034 4.375 4.340 0.002 0.000 0.229 55 R C 2.327 178.630 176.300 0.004 0.000 1.120 55 R CA 1.231 57.335 56.100 0.008 0.000 0.967 55 R CB -0.412 29.891 30.300 0.005 0.000 0.862 55 R HN 0.396 nan 8.270 nan 0.000 0.436 56 A N -0.037 122.782 122.820 -0.002 0.000 2.014 56 A HA -0.088 4.233 4.320 0.002 0.000 0.218 56 A C 1.930 179.510 177.584 -0.006 0.000 1.163 56 A CA 1.714 53.747 52.037 -0.006 0.000 0.652 56 A CB -0.318 18.674 19.000 -0.013 0.000 0.808 56 A HN 0.594 nan 8.150 nan 0.000 0.449 57 T N -5.460 109.091 114.554 -0.004 0.000 3.022 57 T HA 0.402 4.753 4.350 0.002 0.000 0.250 57 T C 1.457 176.163 174.700 0.010 0.000 1.060 57 T CA 1.106 63.205 62.100 -0.003 0.000 1.013 57 T CB 0.172 69.036 68.868 -0.007 0.000 0.982 57 T HN 1.583 nan 8.240 nan 0.000 0.508 58 G N 1.149 109.958 108.800 0.016 0.000 2.166 58 G HA2 -0.239 3.722 3.960 0.002 0.000 0.260 58 G HA3 -0.239 3.722 3.960 0.002 0.000 0.260 58 G C 0.142 175.067 174.900 0.041 0.000 0.986 58 G CA 0.485 45.602 45.100 0.028 0.000 0.683 58 G HN 0.734 nan 8.290 nan 0.000 0.527 59 T N 3.076 117.652 114.554 0.036 0.000 2.770 59 T HA 0.568 4.919 4.350 0.002 0.000 0.283 59 T C -2.364 172.366 174.700 0.050 0.000 0.988 59 T CA -0.954 61.172 62.100 0.044 0.000 0.957 59 T CB 2.723 71.604 68.868 0.022 0.000 0.930 59 T HN 0.111 nan 8.240 nan 0.000 0.443 60 P HA 0.227 nan 4.420 nan 0.000 0.271 60 P C -0.912 176.435 177.300 0.078 0.000 1.220 60 P CA -0.258 62.896 63.100 0.091 0.000 0.768 60 P CB 0.589 32.376 31.700 0.145 0.000 0.848 61 V N 3.743 123.688 119.914 0.052 0.000 2.409 61 V HA 0.314 4.435 4.120 0.002 0.000 0.291 61 V C 0.173 176.281 176.094 0.023 0.000 1.020 61 V CA -0.239 62.081 62.300 0.033 0.000 0.848 61 V CB 1.547 33.371 31.823 0.002 0.000 0.990 61 V HN 0.535 nan 8.190 nan 0.000 0.430 62 S N 3.749 119.458 115.700 0.015 0.000 2.532 62 S HA 0.826 5.297 4.470 0.002 0.000 0.301 62 S C -0.571 174.005 174.600 -0.039 0.000 1.083 62 S CA -0.796 57.397 58.200 -0.013 0.000 1.025 62 S CB 2.183 65.359 63.200 -0.040 0.000 1.056 62 S HN 0.429 nan 8.310 nan 0.000 0.494 63 V N 2.603 122.494 119.914 -0.038 0.000 2.540 63 V HA 0.626 4.747 4.120 0.002 0.000 0.302 63 V C -0.223 175.902 176.094 0.052 0.000 1.035 63 V CA -0.760 61.517 62.300 -0.038 0.000 0.873 63 V CB 1.398 33.100 31.823 -0.201 0.000 0.992 63 V HN 0.857 nan 8.190 nan 0.000 0.428 64 R N 3.549 124.123 120.500 0.124 0.000 2.808 64 R HA 0.650 4.991 4.340 0.002 0.000 0.272 64 R C -1.740 174.718 176.300 0.264 0.000 0.995 64 R CA -1.078 55.130 56.100 0.180 0.000 0.917 64 R CB 1.822 32.140 30.300 0.030 0.000 1.217 64 R HN 0.350 nan 8.270 nan 0.000 0.471 65 L N 2.659 123.979 121.223 0.162 0.000 2.350 65 L HA 0.168 4.509 4.340 0.002 0.000 0.275 65 L C 0.543 177.404 176.870 -0.015 0.000 1.099 65 L CA -0.098 54.750 54.840 0.013 0.000 0.808 65 L CB 1.096 43.086 42.059 -0.116 0.000 1.149 65 L HN 0.646 nan 8.230 nan 0.000 0.442 66 Q N 1.753 121.517 119.800 -0.060 0.000 2.361 66 Q HA 0.139 4.480 4.340 0.002 0.000 0.276 66 Q C -0.694 175.279 176.000 -0.045 0.000 1.022 66 Q CA 0.017 55.795 55.803 -0.041 0.000 0.898 66 Q CB 0.760 29.463 28.738 -0.059 0.000 1.246 66 Q HN 0.527 nan 8.270 nan 0.000 0.410 67 E N 1.140 121.340 120.200 0.001 0.000 2.280 67 E HA 0.250 4.601 4.350 0.002 0.000 0.264 67 E C -0.753 175.845 176.600 -0.004 0.000 1.064 67 E CA -0.957 55.446 56.400 0.005 0.000 0.900 67 E CB 0.939 30.669 29.700 0.050 0.000 1.123 67 E HN 0.503 nan 8.360 nan 0.000 0.418 68 R N 2.061 122.555 120.500 -0.010 0.000 2.287 68 R HA 0.165 4.506 4.340 0.002 0.000 0.327 68 R C -0.344 175.963 176.300 0.011 0.000 1.109 68 R CA 0.260 56.351 56.100 -0.015 0.000 1.013 68 R CB -0.299 29.983 30.300 -0.031 0.000 1.126 68 R HN 0.595 nan 8.270 nan 0.000 0.503 69 L N 2.032 123.270 121.223 0.026 0.000 2.537 69 L HA 0.440 4.781 4.340 0.002 0.000 0.224 69 L C 1.259 178.137 176.870 0.013 0.000 1.065 69 L CA 0.260 55.126 54.840 0.043 0.000 0.860 69 L CB 0.366 42.486 42.059 0.101 0.000 1.086 69 L HN 0.719 nan 8.230 nan 0.000 0.482 70 G N -0.649 108.152 108.800 0.002 0.000 2.795 70 G HA2 0.405 4.366 3.960 0.002 0.000 0.267 70 G HA3 0.405 4.366 3.960 0.002 0.000 0.267 70 G C 0.412 175.303 174.900 -0.015 0.000 1.362 70 G CA 0.561 45.654 45.100 -0.011 0.000 1.048 70 G HN 0.067 nan 8.290 nan 0.000 0.547 71 T N -2.303 112.241 114.554 -0.018 0.000 3.111 71 T HA 0.407 4.758 4.350 0.002 0.000 0.284 71 T C 0.381 175.073 174.700 -0.014 0.000 0.983 71 T CA -0.193 61.898 62.100 -0.016 0.000 0.900 71 T CB 0.073 68.932 68.868 -0.014 0.000 1.132 71 T HN 0.129 nan 8.240 nan 0.000 0.531 72 L N 1.147 122.360 121.223 -0.016 0.000 2.805 72 L HA 0.577 4.918 4.340 0.002 0.000 0.242 72 L C 0.810 177.673 176.870 -0.012 0.000 1.180 72 L CA -1.507 53.327 54.840 -0.010 0.000 1.001 72 L CB 0.245 42.299 42.059 -0.009 0.000 1.864 72 L HN 0.166 nan 8.230 nan 0.000 0.551 73 R N 1.211 121.708 120.500 -0.007 0.000 2.538 73 R HA 0.056 4.397 4.340 0.002 0.000 0.282 73 R C -2.212 174.072 176.300 -0.028 0.000 1.009 73 R CA -1.042 55.053 56.100 -0.009 0.000 1.063 73 R CB 0.173 30.474 30.300 0.001 0.000 0.945 73 R HN 0.231 nan 8.270 nan 0.000 0.414 74 P HA 0.112 nan 4.420 nan 0.000 0.269 74 P C -0.568 176.733 177.300 0.002 0.000 1.263 74 P CA 0.134 63.217 63.100 -0.029 0.000 0.813 74 P CB 1.253 32.922 31.700 -0.052 0.000 0.868 75 G N 2.773 111.531 108.800 -0.071 0.000 2.933 75 G HA2 0.156 4.117 3.960 0.002 0.000 0.203 75 G HA3 0.156 4.117 3.960 0.002 0.000 0.203 75 G C 0.610 175.375 174.900 -0.226 0.000 1.170 75 G CA -0.426 44.569 45.100 -0.174 0.000 0.880 75 G HN 0.278 nan 8.290 nan 0.000 0.573 76 K N -0.330 119.816 120.400 -0.424 0.000 2.063 76 K HA -0.044 4.277 4.320 0.002 0.000 0.208 76 K C 2.262 178.742 176.600 -0.200 0.000 1.048 76 K CA 2.217 58.291 56.287 -0.354 0.000 0.928 76 K CB -0.804 31.390 32.500 -0.508 0.000 0.713 76 K HN 0.417 nan 8.250 nan 0.000 0.442 77 G N 0.750 109.434 108.800 -0.193 0.000 2.422 77 G HA2 -0.244 3.717 3.960 0.002 0.000 0.218 77 G HA3 -0.244 3.717 3.960 0.002 0.000 0.218 77 G C 1.070 175.937 174.900 -0.055 0.000 1.146 77 G CA 0.982 45.993 45.100 -0.148 0.000 0.769 77 G HN 0.327 nan 8.290 nan 0.000 0.547 78 D N 0.609 120.981 120.400 -0.046 0.000 2.144 78 D HA -0.052 4.589 4.640 0.002 0.000 0.199 78 D C 2.659 178.977 176.300 0.031 0.000 0.984 78 D CA 1.225 55.225 54.000 0.001 0.000 0.834 78 D CB -0.635 40.150 40.800 -0.025 0.000 0.955 78 D HN 0.289 nan 8.370 nan 0.000 0.465 79 G N 0.427 109.230 108.800 0.004 0.000 2.433 79 G HA2 -0.238 3.723 3.960 0.002 0.000 0.216 79 G HA3 -0.238 3.723 3.960 0.002 0.000 0.216 79 G C 1.683 176.663 174.900 0.133 0.000 1.186 79 G CA 0.590 45.714 45.100 0.041 0.000 0.779 79 G HN 0.207 nan 8.290 nan 0.000 0.543 80 M N 0.289 119.956 119.600 0.113 0.000 2.132 80 M HA -0.020 4.461 4.480 0.002 0.000 0.263 80 M C 2.346 178.842 176.300 0.326 0.000 1.065 80 M CA 1.245 56.664 55.300 0.199 0.000 1.122 80 M CB -0.367 32.184 32.600 -0.082 0.000 1.365 80 M HN 0.264 nan 8.290 nan 0.000 0.411 81 N N -0.662 118.197 118.700 0.264 0.000 2.331 81 N HA -0.096 4.645 4.740 0.002 0.000 0.180 81 N C 1.445 177.137 175.510 0.302 0.000 1.019 81 N CA 1.351 54.613 53.050 0.352 0.000 0.881 81 N CB -0.002 38.676 38.487 0.319 0.000 0.972 81 N HN 0.266 nan 8.380 nan 0.000 0.435 82 T N 0.487 115.174 114.554 0.221 0.000 2.746 82 T HA -0.110 4.241 4.350 0.002 0.000 0.267 82 T C 2.067 176.876 174.700 0.183 0.000 1.039 82 T CA 1.217 63.421 62.100 0.174 0.000 1.142 82 T CB -0.277 68.665 68.868 0.123 0.000 0.866 82 T HN 0.321 nan 8.240 nan 0.000 0.444 83 A N 1.213 124.174 122.820 0.234 0.000 1.902 83 A HA -0.009 4.312 4.320 0.002 0.000 0.217 83 A C 2.167 179.908 177.584 0.262 0.000 1.181 83 A CA 1.113 53.296 52.037 0.244 0.000 0.623 83 A CB -0.744 18.417 19.000 0.269 0.000 0.818 83 A HN 0.328 nan 8.150 nan 0.000 0.443 84 L N -0.214 121.174 121.223 0.274 0.000 2.012 84 L HA -0.138 4.203 4.340 0.002 0.000 0.210 84 L C 2.568 179.386 176.870 -0.087 0.000 1.073 84 L CA 2.103 57.058 54.840 0.191 0.000 0.748 84 L CB -0.958 41.233 42.059 0.221 0.000 0.891 84 L HN 0.486 nan 8.230 nan 0.000 0.431 85 R N -1.727 118.569 120.500 -0.339 0.000 2.081 85 R HA -0.243 4.098 4.340 0.002 0.000 0.235 85 R C 2.448 178.671 176.300 -0.127 0.000 1.131 85 R CA 1.663 57.441 56.100 -0.536 0.000 0.960 85 R CB -0.508 29.587 30.300 -0.342 0.000 0.856 85 R HN 0.354 nan 8.270 nan 0.000 0.436 86 Y N 0.447 120.722 120.300 -0.041 0.000 2.145 86 Y HA -0.287 4.263 4.550 0.001 0.000 0.286 86 Y C 1.975 177.919 175.900 0.073 0.000 1.145 86 Y CA 1.992 60.110 58.100 0.030 0.000 1.148 86 Y CB -0.637 37.871 38.460 0.079 0.000 0.981 86 Y HN 0.124 nan 8.280 nan 0.000 0.507 87 F N 0.329 120.296 119.950 0.028 0.000 2.095 87 F HA -0.258 4.270 4.527 0.002 0.000 0.298 87 F C 1.786 177.508 175.800 -0.130 0.000 1.104 87 F CA 1.955 59.948 58.000 -0.012 0.000 1.232 87 F CB -0.676 38.363 39.000 0.064 0.000 0.987 87 F HN 0.086 nan 8.300 nan 0.000 0.475 88 L N -0.562 120.505 121.223 -0.260 0.000 2.162 88 L HA -0.060 4.281 4.340 0.002 0.000 0.205 88 L C 2.159 178.851 176.870 -0.296 0.000 1.086 88 L CA 1.292 55.919 54.840 -0.355 0.000 0.778 88 L CB -0.491 41.445 42.059 -0.205 0.000 0.928 88 L HN 0.110 nan 8.230 nan 0.000 0.446 89 E N -0.537 119.510 120.200 -0.255 0.000 2.364 89 E HA -0.028 4.323 4.350 0.002 0.000 0.196 89 E C 1.003 177.452 176.600 -0.253 0.000 0.990 89 E CA 0.323 56.603 56.400 -0.201 0.000 0.886 89 E CB 0.482 30.108 29.700 -0.123 0.000 0.866 89 E HN 0.466 nan 8.360 nan 0.000 0.493 90 E N 0.316 120.281 120.200 -0.392 0.000 2.601 90 E HA 0.047 4.398 4.350 0.002 0.000 0.219 90 E C 0.268 176.540 176.600 -0.547 0.000 0.964 90 E CA 0.149 56.265 56.400 -0.473 0.000 1.050 90 E CB 1.330 30.649 29.700 -0.635 0.000 1.068 90 E HN 0.061 nan 8.360 nan 0.000 0.496 91 T N -2.323 111.904 114.554 -0.545 0.000 2.838 91 T HA 0.376 4.727 4.350 0.002 0.000 0.292 91 T C 0.022 174.357 174.700 -0.607 0.000 1.113 91 T CA -0.688 61.047 62.100 -0.608 0.000 1.008 91 T CB 2.173 70.719 68.868 -0.537 0.000 1.259 91 T HN -0.197 nan 8.240 nan 0.000 0.520 92 Q N -0.483 118.851 119.800 -0.777 0.000 2.135 92 Q HA 0.372 4.713 4.340 0.002 0.000 0.222 92 Q C -1.162 174.632 176.000 -0.342 0.000 0.808 92 Q CA -0.542 54.945 55.803 -0.527 0.000 1.049 92 Q CB 0.223 28.697 28.738 -0.439 0.000 1.168 92 Q HN 0.711 nan 8.270 nan 0.000 0.483 93 W N 0.444 121.728 121.300 -0.028 0.000 2.158 93 W HA 0.124 4.785 4.660 0.002 0.000 0.339 93 W C 1.095 177.713 176.519 0.164 0.000 1.294 93 W CA -0.341 57.096 57.345 0.153 0.000 1.231 93 W CB 0.768 30.426 29.460 0.330 0.000 1.143 93 W HN 0.190 nan 8.180 nan 0.000 0.571 94 E N 0.978 121.466 120.200 0.480 0.000 2.385 94 E HA 0.048 4.399 4.350 0.002 0.000 0.194 94 E C 0.245 177.101 176.600 0.426 0.000 1.013 94 E CA 0.611 57.212 56.400 0.334 0.000 0.866 94 E CB 0.300 30.141 29.700 0.236 0.000 0.832 94 E HN 0.372 nan 8.360 nan 0.000 0.500 95 R N 0.391 121.176 120.500 0.475 0.000 2.725 95 R HA 0.559 4.900 4.340 0.002 0.000 0.277 95 R C -1.172 175.163 176.300 0.058 0.000 0.987 95 R CA -0.584 55.678 56.100 0.271 0.000 0.901 95 R CB 2.468 32.866 30.300 0.164 0.000 1.207 95 R HN -0.057 nan 8.270 nan 0.000 0.463 96 I N 1.848 122.232 120.570 -0.311 0.000 2.466 96 I HA 0.380 4.551 4.170 0.002 0.000 0.289 96 I C -0.750 175.204 176.117 -0.272 0.000 1.026 96 I CA -0.556 60.401 61.300 -0.572 0.000 1.078 96 I CB 1.268 38.450 38.000 -1.364 0.000 1.249 96 I HN 0.656 nan 8.210 nan 0.000 0.429 97 H N 6.553 125.373 119.070 -0.417 0.000 2.502 97 H HA 0.428 4.985 4.556 0.002 0.000 0.338 97 H C -1.425 173.511 175.328 -0.653 0.000 1.155 97 H CA -0.612 55.208 56.048 -0.381 0.000 1.237 97 H CB 1.876 31.501 29.762 -0.228 0.000 1.534 97 H HN 0.380 nan 8.280 nan 0.000 0.523 98 F N 1.256 120.982 119.950 -0.374 0.000 2.495 98 F HA 0.338 4.866 4.527 0.002 0.000 0.327 98 F C -0.854 174.526 175.800 -0.700 0.000 1.103 98 F CA -0.642 57.132 58.000 -0.376 0.000 0.949 98 F CB 1.354 40.265 39.000 -0.147 0.000 1.142 98 F HN 0.411 nan 8.300 nan 0.000 0.457 99 Y N 0.696 120.978 120.300 -0.031 0.000 2.470 99 Y HA 0.302 4.853 4.550 0.001 0.000 0.341 99 Y C -0.474 175.490 175.900 0.107 0.000 1.021 99 Y CA -1.543 56.548 58.100 -0.015 0.000 1.025 99 Y CB 1.244 39.521 38.460 -0.304 0.000 1.266 99 Y HN 0.448 nan 8.280 nan 0.000 0.448 100 D N 1.113 121.705 120.400 0.319 0.000 2.423 100 D HA 0.183 4.824 4.640 0.002 0.000 0.238 100 D C 0.886 177.351 176.300 0.276 0.000 1.142 100 D CA 0.420 54.583 54.000 0.271 0.000 0.884 100 D CB 1.484 42.411 40.800 0.212 0.000 1.199 100 D HN 0.773 nan 8.370 nan 0.000 0.438 101 A N 2.234 125.204 122.820 0.249 0.000 2.067 101 A HA -0.154 4.167 4.320 0.002 0.000 0.219 101 A C 1.120 178.716 177.584 0.020 0.000 1.158 101 A CA 1.194 53.317 52.037 0.144 0.000 0.661 101 A CB -0.092 19.011 19.000 0.171 0.000 0.801 101 A HN 0.575 nan 8.150 nan 0.000 0.452 102 D N -0.895 119.539 120.400 0.056 0.000 2.424 102 D HA 0.192 4.833 4.640 0.002 0.000 0.220 102 D C 0.187 176.486 176.300 -0.003 0.000 1.150 102 D CA -0.482 53.532 54.000 0.023 0.000 0.831 102 D CB -0.756 40.077 40.800 0.055 0.000 0.981 102 D HN 0.394 nan 8.370 nan 0.000 0.500 103 I N 1.576 122.141 120.570 -0.009 0.000 2.775 103 I HA -0.085 4.086 4.170 0.002 0.000 0.290 103 I C 1.698 177.795 176.117 -0.034 0.000 1.203 103 I CA 0.685 61.976 61.300 -0.014 0.000 1.433 103 I CB 0.962 38.933 38.000 -0.048 0.000 1.354 103 I HN 0.078 nan 8.210 nan 0.000 0.579 104 T N -0.840 113.716 114.554 0.003 0.000 3.022 104 T HA 0.105 4.456 4.350 0.002 0.000 0.250 104 T C 0.959 175.678 174.700 0.031 0.000 1.060 104 T CA 0.016 62.113 62.100 -0.006 0.000 1.013 104 T CB 0.258 69.114 68.868 -0.021 0.000 0.982 104 T HN 0.470 nan 8.240 nan 0.000 0.508 105 S N 0.675 116.436 115.700 0.102 0.000 2.902 105 S HA 0.423 4.894 4.470 0.002 0.000 0.250 105 S C -0.570 174.054 174.600 0.040 0.000 1.046 105 S CA -0.823 57.470 58.200 0.154 0.000 1.069 105 S CB -0.305 63.074 63.200 0.298 0.000 0.967 105 S HN 0.484 nan 8.310 nan 0.000 0.530 106 F N 2.531 122.199 119.950 -0.471 0.000 2.572 106 F HA 0.520 5.049 4.527 0.002 0.000 0.370 106 F C 0.833 176.292 175.800 -0.569 0.000 1.103 106 F CA 0.365 57.736 58.000 -1.049 0.000 1.286 106 F CB 0.293 38.829 39.000 -0.773 0.000 1.105 106 F HN 0.239 nan 8.300 nan 0.000 0.583 107 G N 5.335 113.439 108.800 -1.160 0.000 2.682 107 G HA2 0.404 4.365 3.960 0.002 0.000 0.290 107 G HA3 0.404 4.365 3.960 0.002 0.000 0.290 107 G C -2.609 171.887 174.900 -0.673 0.000 1.425 107 G CA -0.940 43.783 45.100 -0.627 0.000 0.807 107 G HN 0.299 nan 8.290 nan 0.000 0.482 108 P HA -0.074 nan 4.420 nan 0.000 0.219 108 P C 0.834 178.178 177.300 0.074 0.000 1.146 108 P CA 0.941 63.998 63.100 -0.073 0.000 0.808 108 P CB 0.342 32.032 31.700 -0.017 0.000 0.779 109 D N -1.191 119.265 120.400 0.093 0.000 2.182 109 D HA -0.157 4.484 4.640 0.002 0.000 0.201 109 D C 1.721 178.193 176.300 0.287 0.000 0.986 109 D CA 0.977 55.091 54.000 0.190 0.000 0.847 109 D CB -0.265 40.646 40.800 0.185 0.000 0.942 109 D HN 0.202 nan 8.370 nan 0.000 0.467 110 W N 1.198 122.460 121.300 -0.063 0.000 2.379 110 W HA -0.001 4.660 4.660 0.002 0.000 0.307 110 W C 2.422 179.085 176.519 0.240 0.000 1.200 110 W CA 0.076 57.464 57.345 0.071 0.000 1.297 110 W CB -1.044 28.340 29.460 -0.126 0.000 1.140 110 W HN -0.037 nan 8.180 nan 0.000 0.507 111 I N -0.468 120.272 120.570 0.283 0.000 2.202 111 I HA -0.298 3.873 4.170 0.002 0.000 0.242 111 I C 2.292 178.532 176.117 0.204 0.000 1.091 111 I CA 1.691 63.128 61.300 0.228 0.000 1.368 111 I CB -1.031 36.765 38.000 -0.341 0.000 1.058 111 I HN -0.102 nan 8.210 nan 0.000 0.410 112 T N 0.657 115.342 114.554 0.219 0.000 2.684 112 T HA -0.216 4.135 4.350 0.002 0.000 0.267 112 T C 1.918 176.726 174.700 0.180 0.000 1.036 112 T CA 1.479 63.730 62.100 0.251 0.000 1.148 112 T CB -0.164 68.864 68.868 0.266 0.000 0.863 112 T HN 0.279 nan 8.240 nan 0.000 0.436 113 K N 0.880 121.393 120.400 0.188 0.000 2.057 113 K HA 0.042 4.363 4.320 0.002 0.000 0.207 113 K C 2.623 179.269 176.600 0.077 0.000 1.049 113 K CA 1.166 57.526 56.287 0.122 0.000 0.931 113 K CB -0.262 32.313 32.500 0.125 0.000 0.714 113 K HN 0.275 nan 8.250 nan 0.000 0.440 114 A N 1.548 124.451 122.820 0.138 0.000 1.898 114 A HA -0.176 4.145 4.320 0.002 0.000 0.216 114 A C 1.931 179.523 177.584 0.013 0.000 1.181 114 A CA 1.388 53.441 52.037 0.027 0.000 0.620 114 A CB -0.261 18.786 19.000 0.078 0.000 0.819 114 A HN 0.174 nan 8.150 nan 0.000 0.442 115 E N 0.021 120.272 120.200 0.085 0.000 2.106 115 E HA -0.171 4.180 4.350 0.002 0.000 0.192 115 E C 1.895 178.540 176.600 0.075 0.000 0.984 115 E CA 1.270 57.723 56.400 0.088 0.000 0.806 115 E CB -0.279 29.503 29.700 0.135 0.000 0.750 115 E HN 0.760 nan 8.360 nan 0.000 0.458 116 E N 0.628 120.867 120.200 0.065 0.000 2.107 116 E HA -0.076 4.275 4.350 0.002 0.000 0.191 116 E C 2.039 178.650 176.600 0.018 0.000 0.982 116 E CA 0.724 57.153 56.400 0.048 0.000 0.809 116 E CB -0.019 29.705 29.700 0.039 0.000 0.756 116 E HN 0.152 nan 8.360 nan 0.000 0.459 117 A N 1.542 124.326 122.820 -0.059 0.000 1.930 117 A HA -0.075 4.246 4.320 0.002 0.000 0.217 117 A C 2.378 180.052 177.584 0.150 0.000 1.175 117 A CA 1.540 53.504 52.037 -0.121 0.000 0.627 117 A CB -0.480 18.286 19.000 -0.390 0.000 0.815 117 A HN 0.277 nan 8.150 nan 0.000 0.443 118 A N -0.132 122.752 122.820 0.105 0.000 1.969 118 A HA -0.137 4.184 4.320 0.002 0.000 0.218 118 A C 1.697 179.351 177.584 0.117 0.000 1.169 118 A CA 1.762 53.877 52.037 0.130 0.000 0.635 118 A CB -0.489 18.555 19.000 0.075 0.000 0.810 118 A HN 0.430 nan 8.150 nan 0.000 0.445 119 D N -1.145 119.320 120.400 0.109 0.000 2.178 119 D HA -0.114 4.527 4.640 0.002 0.000 0.201 119 D C 1.458 177.817 176.300 0.099 0.000 0.980 119 D CA 0.909 54.965 54.000 0.093 0.000 0.842 119 D CB -0.354 40.502 40.800 0.093 0.000 0.948 119 D HN 0.482 nan 8.370 nan 0.000 0.472 120 F N 0.000 119.937 119.950 -0.022 0.000 2.293 120 F HA 0.063 4.591 4.527 0.002 0.000 0.300 120 F C 1.712 177.419 175.800 -0.155 0.000 1.086 120 F CA 1.630 59.590 58.000 -0.068 0.000 1.375 120 F CB 0.417 39.391 39.000 -0.044 0.000 1.045 120 F HN 0.090 nan 8.300 nan 0.000 0.516 121 G N -2.208 106.553 108.800 -0.064 0.000 2.559 121 G HA2 -0.178 3.783 3.960 0.002 0.000 0.202 121 G HA3 -0.178 3.783 3.960 0.002 0.000 0.202 121 G C -0.236 174.579 174.900 -0.141 0.000 0.992 121 G CA -0.422 44.568 45.100 -0.183 0.000 0.764 121 G HN 0.213 nan 8.290 nan 0.000 0.525 122 Y N 1.008 121.364 120.300 0.094 0.000 2.497 122 Y HA 0.365 4.916 4.550 0.002 0.000 0.334 122 Y C 1.879 177.813 175.900 0.056 0.000 1.199 122 Y CA 1.136 59.292 58.100 0.093 0.000 1.425 122 Y CB 1.336 39.873 38.460 0.128 0.000 1.291 122 Y HN 0.057 nan 8.280 nan 0.000 0.562 123 G N 3.061 111.982 108.800 0.202 0.000 2.494 123 G HA2 0.019 3.980 3.960 0.002 0.000 0.216 123 G HA3 0.019 3.980 3.960 0.002 0.000 0.216 123 G C -0.020 174.943 174.900 0.104 0.000 1.140 123 G CA 0.164 45.335 45.100 0.119 0.000 0.801 123 G HN 0.465 nan 8.290 nan 0.000 0.536 124 L N 1.182 122.482 121.223 0.129 0.000 2.436 124 L HA 0.591 4.932 4.340 0.002 0.000 0.268 124 L C -1.564 175.349 176.870 0.072 0.000 0.974 124 L CA -0.536 54.346 54.840 0.069 0.000 0.826 124 L CB 2.394 44.476 42.059 0.038 0.000 1.291 124 L HN -0.159 nan 8.230 nan 0.000 0.406 125 V N 5.161 125.089 119.914 0.024 0.000 2.487 125 V HA 0.575 4.696 4.120 0.002 0.000 0.298 125 V C -0.274 175.795 176.094 -0.041 0.000 1.028 125 V CA -0.685 61.608 62.300 -0.011 0.000 0.860 125 V CB 2.087 33.881 31.823 -0.048 0.000 0.991 125 V HN 0.721 nan 8.190 nan 0.000 0.427 126 R N 3.158 123.633 120.500 -0.042 0.000 2.494 126 R HA 0.555 4.896 4.340 0.002 0.000 0.305 126 R C -0.882 175.407 176.300 -0.018 0.000 0.959 126 R CA -0.761 55.354 56.100 0.025 0.000 0.864 126 R CB 1.755 32.087 30.300 0.053 0.000 1.159 126 R HN 0.737 nan 8.270 nan 0.000 0.446 127 H N 3.299 122.421 119.070 0.087 0.000 2.562 127 H HA 0.141 4.698 4.556 0.002 0.000 0.314 127 H C -0.654 174.629 175.328 -0.075 0.000 1.079 127 H CA -0.280 55.729 56.048 -0.065 0.000 1.349 127 H CB 1.155 30.844 29.762 -0.121 0.000 1.432 127 H HN 0.575 nan 8.280 nan 0.000 0.479 128 Y N 1.560 121.688 120.300 -0.286 0.000 2.562 128 Y HA 0.639 5.190 4.550 0.002 0.000 0.343 128 Y C -1.787 173.783 175.900 -0.551 0.000 1.025 128 Y CA -1.718 56.267 58.100 -0.193 0.000 1.082 128 Y CB 1.058 39.539 38.460 0.035 0.000 1.264 128 Y HN 0.270 nan 8.280 nan 0.000 0.478 129 F N 1.875 121.794 119.950 -0.052 0.000 2.588 129 F HA 0.653 5.181 4.527 0.002 0.000 0.314 129 F C -2.455 173.376 175.800 0.052 0.000 1.069 129 F CA -2.473 55.406 58.000 -0.202 0.000 0.931 129 F CB 2.265 41.236 39.000 -0.047 0.000 1.260 129 F HN 0.351 nan 8.300 nan 0.000 0.465 130 P HA 0.257 nan 4.420 nan 0.000 0.275 130 P C -0.974 176.537 177.300 0.351 0.000 1.227 130 P CA -0.357 62.968 63.100 0.376 0.000 0.781 130 P CB 0.968 32.865 31.700 0.329 0.000 0.906 131 R N 1.340 122.082 120.500 0.404 0.000 2.740 131 R HA 0.645 4.986 4.340 0.002 0.000 0.282 131 R C -0.072 176.468 176.300 0.400 0.000 0.969 131 R CA -1.167 55.146 56.100 0.355 0.000 0.918 131 R CB 1.519 32.028 30.300 0.349 0.000 1.175 131 R HN 0.548 nan 8.270 nan 0.000 0.464 132 A N 0.874 123.877 122.820 0.305 0.000 2.507 132 A HA 0.041 4.362 4.320 0.002 0.000 0.235 132 A C 1.336 179.108 177.584 0.314 0.000 1.070 132 A CA 0.565 52.786 52.037 0.307 0.000 0.768 132 A CB 0.102 19.200 19.000 0.163 0.000 1.011 132 A HN 0.865 nan 8.150 nan 0.000 0.502 133 S N 0.253 116.132 115.700 0.298 0.000 2.442 133 S HA -0.135 4.336 4.470 0.002 0.000 0.236 133 S C 1.136 175.886 174.600 0.250 0.000 1.007 133 S CA 1.631 59.935 58.200 0.174 0.000 0.965 133 S CB -0.681 62.570 63.200 0.084 0.000 0.773 133 S HN 1.307 nan 8.310 nan 0.000 0.504 134 T N -1.904 112.792 114.554 0.235 0.000 3.129 134 T HA 0.330 4.681 4.350 0.002 0.000 0.267 134 T C -0.215 174.644 174.700 0.265 0.000 1.018 134 T CA -0.628 61.645 62.100 0.288 0.000 0.903 134 T CB 0.041 69.074 68.868 0.275 0.000 1.067 134 T HN 0.108 nan 8.240 nan 0.000 0.549 135 D N 1.331 121.870 120.400 0.231 0.000 2.466 135 D HA 0.610 5.251 4.640 0.002 0.000 0.262 135 D C 0.990 177.430 176.300 0.233 0.000 1.177 135 D CA 0.225 54.356 54.000 0.219 0.000 1.035 135 D CB 1.105 42.037 40.800 0.221 0.000 1.105 135 D HN 0.245 nan 8.370 nan 0.000 0.551 136 A N 0.225 123.176 122.820 0.218 0.000 2.872 136 A HA -0.215 4.106 4.320 0.002 0.000 0.273 136 A C 1.430 179.176 177.584 0.269 0.000 1.442 136 A CA 0.903 53.080 52.037 0.233 0.000 0.801 136 A CB -1.737 17.457 19.000 0.323 0.000 1.031 136 A HN 0.430 nan 8.150 nan 0.000 0.582 137 M N -1.239 118.499 119.600 0.229 0.000 2.394 137 M HA 0.039 4.520 4.480 0.002 0.000 0.264 137 M C 2.007 178.569 176.300 0.437 0.000 1.073 137 M CA 1.555 56.999 55.300 0.241 0.000 1.111 137 M CB -0.788 31.848 32.600 0.060 0.000 1.401 137 M HN 0.705 nan 8.290 nan 0.000 0.448 138 I N -0.494 120.257 120.570 0.302 0.000 2.233 138 I HA -0.213 3.958 4.170 0.002 0.000 0.243 138 I C 2.302 178.445 176.117 0.044 0.000 1.093 138 I CA 1.095 62.434 61.300 0.065 0.000 1.380 138 I CB -0.745 37.154 38.000 -0.168 0.000 1.067 138 I HN 0.210 nan 8.210 nan 0.000 0.413 139 T N 0.059 114.614 114.554 0.002 0.000 2.624 139 T HA -0.250 4.101 4.350 0.002 0.000 0.268 139 T C 1.459 176.070 174.700 -0.149 0.000 1.041 139 T CA 2.078 64.103 62.100 -0.125 0.000 1.159 139 T CB -0.383 68.367 68.868 -0.197 0.000 0.863 139 T HN 0.400 nan 8.240 nan 0.000 0.434 140 W N 0.271 121.568 121.300 -0.004 0.000 2.488 140 W HA 0.137 4.798 4.660 0.002 0.000 0.304 140 W C 2.396 178.946 176.519 0.051 0.000 1.175 140 W CA 0.122 57.444 57.345 -0.039 0.000 1.365 140 W CB -0.116 29.257 29.460 -0.145 0.000 1.131 140 W HN 0.098 nan 8.180 nan 0.000 0.520 141 M N -0.683 119.130 119.600 0.355 0.000 2.447 141 M HA 0.004 4.485 4.480 0.002 0.000 0.264 141 M C 1.456 178.167 176.300 0.684 0.000 1.095 141 M CA 1.080 56.641 55.300 0.434 0.000 1.125 141 M CB -0.841 31.854 32.600 0.159 0.000 1.389 141 M HN 0.035 nan 8.290 nan 0.000 0.459 142 I N -1.055 119.775 120.570 0.433 0.000 3.132 142 I HA -0.003 4.168 4.170 0.002 0.000 0.255 142 I C 2.020 178.240 176.117 0.171 0.000 1.118 142 I CA 1.093 62.637 61.300 0.406 0.000 1.463 142 I CB -1.237 36.844 38.000 0.136 0.000 1.356 142 I HN 0.141 nan 8.210 nan 0.000 0.463 143 T N 1.437 115.961 114.554 -0.050 0.000 2.735 143 T HA -0.011 4.340 4.350 0.002 0.000 0.256 143 T C 2.044 176.479 174.700 -0.443 0.000 1.042 143 T CA 1.032 62.925 62.100 -0.344 0.000 1.147 143 T CB -0.117 68.557 68.868 -0.324 0.000 0.865 143 T HN 0.174 nan 8.240 nan 0.000 0.421 144 R N 0.652 121.031 120.500 -0.202 0.000 2.092 144 R HA -0.010 4.331 4.340 0.002 0.000 0.231 144 R C 2.739 179.046 176.300 0.013 0.000 1.119 144 R CA 1.373 57.429 56.100 -0.074 0.000 0.970 144 R CB -0.675 29.504 30.300 -0.201 0.000 0.864 144 R HN 0.275 nan 8.270 nan 0.000 0.440 145 T N 0.108 114.686 114.554 0.039 0.000 2.708 145 T HA -0.117 4.234 4.350 0.002 0.000 0.266 145 T C 1.876 176.350 174.700 -0.376 0.000 1.037 145 T CA 1.606 63.701 62.100 -0.009 0.000 1.146 145 T CB -0.454 68.501 68.868 0.146 0.000 0.865 145 T HN 0.539 nan 8.240 nan 0.000 0.435 146 G N 0.641 109.167 108.800 -0.456 0.000 2.418 146 G HA2 -0.147 3.814 3.960 0.002 0.000 0.217 146 G HA3 -0.147 3.814 3.960 0.002 0.000 0.217 146 G C 1.262 176.107 174.900 -0.091 0.000 1.158 146 G CA 0.368 45.155 45.100 -0.522 0.000 0.771 146 G HN 0.377 nan 8.290 nan 0.000 0.545 147 F N 1.931 121.916 119.950 0.059 0.000 2.126 147 F HA 0.001 4.529 4.527 0.002 0.000 0.299 147 F C 3.013 178.904 175.800 0.152 0.000 1.096 147 F CA 0.351 58.511 58.000 0.266 0.000 1.255 147 F CB -0.981 38.131 39.000 0.185 0.000 0.997 147 F HN 0.270 nan 8.300 nan 0.000 0.479 148 A N -0.097 122.838 122.820 0.193 0.000 1.898 148 A HA -0.102 4.219 4.320 0.002 0.000 0.216 148 A C 2.328 179.906 177.584 -0.009 0.000 1.181 148 A CA 1.272 53.362 52.037 0.088 0.000 0.620 148 A CB -1.009 18.041 19.000 0.084 0.000 0.819 148 A HN 0.371 nan 8.150 nan 0.000 0.442 149 L N -1.058 120.065 121.223 -0.165 0.000 2.156 149 L HA -0.032 4.309 4.340 0.002 0.000 0.208 149 L C 2.275 179.009 176.870 -0.226 0.000 1.095 149 L CA 0.683 55.373 54.840 -0.249 0.000 0.770 149 L CB -0.235 41.495 42.059 -0.550 0.000 0.914 149 L HN 0.352 nan 8.230 nan 0.000 0.439 150 L N -2.338 118.689 121.223 -0.327 0.000 2.357 150 L HA 0.029 4.370 4.340 0.002 0.000 0.211 150 L C 0.505 176.896 176.870 -0.798 0.000 1.075 150 L CA 0.210 54.622 54.840 -0.713 0.000 0.830 150 L CB 0.199 41.469 42.059 -1.315 0.000 0.996 150 L HN 0.315 nan 8.230 nan 0.000 0.467 151 W N 0.746 122.089 121.300 0.071 0.000 1.683 151 W HA 0.293 4.954 4.660 0.002 0.000 0.295 151 W C -1.954 174.589 176.519 0.039 0.000 0.865 151 W CA -1.271 56.115 57.345 0.068 0.000 2.079 151 W CB -0.019 29.490 29.460 0.082 0.000 2.263 151 W HN -0.039 nan 8.180 nan 0.000 0.427 152 P HA -0.197 nan 4.420 nan 0.000 0.222 152 P C 1.001 178.309 177.300 0.013 0.000 1.147 152 P CA 1.636 64.726 63.100 -0.017 0.000 0.790 152 P CB 0.283 31.859 31.700 -0.206 0.000 0.780 153 H N -0.503 118.695 119.070 0.213 0.000 2.539 153 H HA 0.119 4.676 4.556 0.002 0.000 0.269 153 H C 1.184 176.619 175.328 0.178 0.000 0.980 153 H CA 0.757 56.917 56.048 0.186 0.000 1.152 153 H CB -0.227 29.612 29.762 0.130 0.000 1.407 153 H HN 0.259 nan 8.280 nan 0.000 0.564 154 T N -2.072 112.657 114.554 0.291 0.000 2.923 154 T HA 0.182 4.533 4.350 0.002 0.000 0.281 154 T C 1.213 176.044 174.700 0.218 0.000 0.995 154 T CA -0.716 61.488 62.100 0.174 0.000 0.985 154 T CB 2.273 71.186 68.868 0.075 0.000 1.114 154 T HN -0.098 nan 8.240 nan 0.000 0.548 155 E N -0.353 119.894 120.200 0.078 0.000 2.427 155 E HA 0.119 4.470 4.350 0.002 0.000 0.196 155 E C 1.779 178.436 176.600 0.096 0.000 1.028 155 E CA 0.441 56.911 56.400 0.117 0.000 0.864 155 E CB -0.788 28.878 29.700 -0.056 0.000 0.813 155 E HN 0.673 nan 8.360 nan 0.000 0.514 156 L N 0.190 121.353 121.223 -0.100 0.000 1.990 156 L HA -0.268 4.073 4.340 0.002 0.000 0.213 156 L C 2.301 179.094 176.870 -0.130 0.000 1.072 156 L CA 1.850 56.444 54.840 -0.410 0.000 0.755 156 L CB -0.672 40.921 42.059 -0.777 0.000 0.889 156 L HN 0.237 nan 8.230 nan 0.000 0.432 157 S N -2.226 113.531 115.700 0.094 0.000 2.561 157 S HA -0.119 4.352 4.470 0.002 0.000 0.225 157 S C 1.277 175.817 174.600 -0.100 0.000 0.977 157 S CA 0.034 58.284 58.200 0.084 0.000 0.926 157 S CB -0.574 62.633 63.200 0.012 0.000 0.769 157 S HN 0.475 nan 8.310 nan 0.000 0.533 158 W N 1.339 122.672 121.300 0.054 0.000 2.863 158 W HA 0.441 5.101 4.660 0.002 0.000 0.258 158 W C 0.313 176.895 176.519 0.105 0.000 1.298 158 W CA -0.823 56.588 57.345 0.110 0.000 1.451 158 W CB 0.001 29.562 29.460 0.169 0.000 1.107 158 W HN 0.140 nan 8.180 nan 0.000 0.641 159 I N 2.631 123.255 120.570 0.090 0.000 2.587 159 I HA -0.077 4.094 4.170 0.002 0.000 0.284 159 I C 1.420 177.514 176.117 -0.038 0.000 1.134 159 I CA 0.156 61.426 61.300 -0.050 0.000 1.410 159 I CB 0.545 38.461 38.000 -0.139 0.000 1.392 159 I HN 0.117 nan 8.210 nan 0.000 0.545 160 E N 5.072 125.222 120.200 -0.084 0.000 2.038 160 E HA -0.182 4.169 4.350 0.002 0.000 0.195 160 E C 0.337 176.861 176.600 -0.126 0.000 1.000 160 E CA 1.455 57.760 56.400 -0.158 0.000 0.803 160 E CB 0.103 29.587 29.700 -0.361 0.000 0.750 160 E HN 0.610 nan 8.360 nan 0.000 0.448 161 Q N 0.079 119.864 119.800 -0.025 0.000 2.695 161 Q HA 0.143 4.484 4.340 0.002 0.000 0.246 161 Q C -2.046 173.975 176.000 0.035 0.000 0.961 161 Q CA -1.421 54.381 55.803 -0.001 0.000 0.708 161 Q CB 2.084 30.915 28.738 0.155 0.000 1.282 161 Q HN -0.030 nan 8.270 nan 0.000 0.482 162 P HA -0.136 nan 4.420 nan 0.000 0.225 162 P C 0.572 177.925 177.300 0.088 0.000 1.148 162 P CA 0.980 64.138 63.100 0.096 0.000 0.779 162 P CB 0.380 32.206 31.700 0.210 0.000 0.780 163 L N -1.484 119.768 121.223 0.049 0.000 2.607 163 L HA 0.271 4.612 4.340 0.002 0.000 0.228 163 L C 1.376 178.304 176.870 0.098 0.000 1.123 163 L CA -0.348 54.523 54.840 0.051 0.000 0.890 163 L CB -0.508 41.549 42.059 -0.004 0.000 1.103 163 L HN -0.090 nan 8.230 nan 0.000 0.468 164 G N -0.239 108.641 108.800 0.132 0.000 2.406 164 G HA2 0.329 4.290 3.960 0.002 0.000 0.251 164 G HA3 0.329 4.290 3.960 0.002 0.000 0.251 164 G C 0.797 175.810 174.900 0.189 0.000 1.271 164 G CA 0.015 45.230 45.100 0.193 0.000 0.859 164 G HN 0.239 nan 8.290 nan 0.000 0.540 165 G N 0.867 109.790 108.800 0.205 0.000 3.337 165 G HA2 0.296 4.257 3.960 0.002 0.000 0.246 165 G HA3 0.296 4.257 3.960 0.002 0.000 0.246 165 G C 0.172 175.194 174.900 0.203 0.000 1.131 165 G CA -0.205 44.997 45.100 0.170 0.000 0.773 165 G HN 0.514 nan 8.290 nan 0.000 0.544 166 E N 0.470 120.838 120.200 0.280 0.000 2.092 166 E HA 0.581 4.932 4.350 0.002 0.000 0.271 166 E C -0.429 176.359 176.600 0.314 0.000 0.919 166 E CA -0.414 56.155 56.400 0.282 0.000 0.760 166 E CB 1.586 31.605 29.700 0.530 0.000 1.106 166 E HN 0.314 nan 8.360 nan 0.000 0.408 167 L N 0.368 121.681 121.223 0.151 0.000 2.838 167 L HA 0.641 4.982 4.340 0.002 0.000 0.266 167 L C -1.746 175.128 176.870 0.006 0.000 1.040 167 L CA -1.077 53.853 54.840 0.149 0.000 0.906 167 L CB 1.075 43.207 42.059 0.122 0.000 1.501 167 L HN 0.421 nan 8.230 nan 0.000 0.407 168 L N 1.245 122.434 121.223 -0.056 0.000 2.385 168 L HA 0.842 5.183 4.340 0.002 0.000 0.273 168 L C -1.385 175.438 176.870 -0.078 0.000 0.990 168 L CA -0.531 54.198 54.840 -0.185 0.000 0.821 168 L CB 1.889 43.717 42.059 -0.385 0.000 1.279 168 L HN 0.832 nan 8.230 nan 0.000 0.412 169 M N 5.000 124.559 119.600 -0.068 0.000 2.465 169 M HA 0.552 5.033 4.480 0.002 0.000 0.316 169 M C -0.484 175.831 176.300 0.024 0.000 1.121 169 M CA -0.749 54.542 55.300 -0.015 0.000 0.934 169 M CB 2.065 34.656 32.600 -0.016 0.000 1.692 169 M HN 0.533 nan 8.290 nan 0.000 0.444 170 R N 1.237 121.782 120.500 0.075 0.000 2.637 170 R HA 0.343 4.684 4.340 0.002 0.000 0.269 170 R C 0.750 177.178 176.300 0.213 0.000 1.089 170 R CA -0.665 55.519 56.100 0.139 0.000 1.177 170 R CB 0.850 31.217 30.300 0.113 0.000 1.091 170 R HN 0.849 nan 8.270 nan 0.000 0.540 171 R N 0.684 121.354 120.500 0.283 0.000 2.096 171 R HA -0.184 4.157 4.340 0.002 0.000 0.240 171 R C 1.715 178.125 176.300 0.183 0.000 1.139 171 R CA 2.249 58.536 56.100 0.312 0.000 0.952 171 R CB -0.100 30.271 30.300 0.118 0.000 0.854 171 R HN 0.823 nan 8.270 nan 0.000 0.436 172 E N 0.165 120.433 120.200 0.113 0.000 2.150 172 E HA -0.116 4.235 4.350 0.002 0.000 0.193 172 E C 2.103 178.750 176.600 0.078 0.000 0.985 172 E CA 1.105 57.549 56.400 0.073 0.000 0.814 172 E CB -0.409 29.319 29.700 0.047 0.000 0.752 172 E HN 0.307 nan 8.360 nan 0.000 0.466 173 V N 2.105 122.069 119.914 0.084 0.000 2.358 173 V HA -0.175 3.946 4.120 0.002 0.000 0.246 173 V C 2.639 178.774 176.094 0.069 0.000 1.047 173 V CA 1.730 64.065 62.300 0.058 0.000 1.035 173 V CB -0.861 30.985 31.823 0.039 0.000 0.658 173 V HN 0.357 nan 8.190 nan 0.000 0.452 174 A N 0.140 123.037 122.820 0.129 0.000 1.908 174 A HA -0.152 4.169 4.320 0.002 0.000 0.218 174 A C 2.422 180.124 177.584 0.196 0.000 1.181 174 A CA 2.212 54.355 52.037 0.176 0.000 0.627 174 A CB -0.787 18.440 19.000 0.379 0.000 0.818 174 A HN 0.566 nan 8.150 nan 0.000 0.445 175 A N -0.859 122.063 122.820 0.170 0.000 1.902 175 A HA -0.133 4.188 4.320 0.002 0.000 0.217 175 A C 2.228 179.899 177.584 0.145 0.000 1.181 175 A CA 1.963 54.092 52.037 0.153 0.000 0.623 175 A CB -0.539 18.514 19.000 0.087 0.000 0.818 175 A HN 0.526 nan 8.150 nan 0.000 0.443 176 M N -0.162 119.498 119.600 0.100 0.000 2.108 176 M HA -0.120 4.361 4.480 0.002 0.000 0.261 176 M C 1.979 178.333 176.300 0.090 0.000 1.066 176 M CA 1.778 57.123 55.300 0.075 0.000 1.107 176 M CB -0.784 31.845 32.600 0.048 0.000 1.356 176 M HN 0.437 nan 8.290 nan 0.000 0.406 177 L N -1.268 120.016 121.223 0.103 0.000 2.056 177 L HA -0.232 4.109 4.340 0.002 0.000 0.207 177 L C 2.537 179.522 176.870 0.192 0.000 1.078 177 L CA 1.226 56.142 54.840 0.127 0.000 0.749 177 L CB -1.052 41.032 42.059 0.041 0.000 0.901 177 L HN 0.252 nan 8.230 nan 0.000 0.433 178 Y N 1.068 121.429 120.300 0.100 0.000 2.274 178 Y HA -0.245 4.306 4.550 0.001 0.000 0.290 178 Y C 2.335 178.286 175.900 0.085 0.000 1.145 178 Y CA 1.539 59.707 58.100 0.114 0.000 1.203 178 Y CB 0.038 38.570 38.460 0.120 0.000 0.984 178 Y HN 0.124 nan 8.280 nan 0.000 0.533 179 E N 0.223 120.433 120.200 0.015 0.000 2.481 179 E HA -0.045 4.306 4.350 0.002 0.000 0.195 179 E C -0.095 176.471 176.600 -0.057 0.000 1.047 179 E CA 0.204 56.568 56.400 -0.059 0.000 0.867 179 E CB -0.148 29.566 29.700 0.023 0.000 0.858 179 E HN 0.270 nan 8.360 nan 0.000 0.513 180 D N 0.303 120.691 120.400 -0.020 0.000 2.317 180 D HA -0.041 4.600 4.640 0.002 0.000 0.252 180 D C 0.735 177.022 176.300 -0.022 0.000 1.174 180 D CA 0.077 54.078 54.000 0.002 0.000 0.866 180 D CB 1.098 41.927 40.800 0.048 0.000 1.127 180 D HN 0.108 nan 8.370 nan 0.000 0.467 181 E N 3.400 123.584 120.200 -0.026 0.000 2.153 181 E HA -0.203 4.148 4.350 0.002 0.000 0.194 181 E C 1.453 178.042 176.600 -0.019 0.000 0.988 181 E CA 1.037 57.417 56.400 -0.034 0.000 0.811 181 E CB 0.317 30.001 29.700 -0.027 0.000 0.746 181 E HN 0.369 nan 8.360 nan 0.000 0.466 182 R N -0.319 120.180 120.500 -0.001 0.000 2.120 182 R HA -0.083 4.258 4.340 0.002 0.000 0.234 182 R C 2.282 178.584 176.300 0.002 0.000 1.123 182 R CA 1.274 57.372 56.100 -0.003 0.000 0.975 182 R CB -0.207 30.095 30.300 0.004 0.000 0.866 182 R HN 0.097 nan 8.270 nan 0.000 0.446 183 V N 0.211 120.143 119.914 0.031 0.000 2.446 183 V HA -0.094 4.027 4.120 0.002 0.000 0.244 183 V C 2.223 178.337 176.094 0.033 0.000 1.039 183 V CA 1.443 63.779 62.300 0.061 0.000 1.045 183 V CB -0.356 31.566 31.823 0.165 0.000 0.681 183 V HN 0.129 nan 8.190 nan 0.000 0.459 184 R N 1.394 121.897 120.500 0.005 0.000 2.096 184 R HA -0.154 4.187 4.340 0.002 0.000 0.235 184 R C 2.411 178.701 176.300 -0.018 0.000 1.127 184 R CA 1.756 57.843 56.100 -0.022 0.000 0.968 184 R CB -0.469 29.766 30.300 -0.108 0.000 0.861 184 R HN 0.649 nan 8.270 nan 0.000 0.440 185 R N -0.860 119.626 120.500 -0.024 0.000 2.236 185 R HA 0.042 4.383 4.340 0.002 0.000 0.208 185 R C 0.469 176.752 176.300 -0.028 0.000 1.036 185 R CA 0.551 56.636 56.100 -0.024 0.000 1.001 185 R CB -0.129 30.156 30.300 -0.024 0.000 0.896 185 R HN -0.140 nan 8.270 nan 0.000 0.464 186 R N 2.145 122.623 120.500 -0.037 0.000 3.268 186 R HA 0.048 4.389 4.340 0.002 0.000 0.217 186 R C 0.538 176.796 176.300 -0.070 0.000 1.568 186 R CA 0.181 56.248 56.100 -0.056 0.000 1.322 186 R CB 0.199 30.452 30.300 -0.077 0.000 1.280 186 R HN 0.442 nan 8.270 nan 0.000 0.667 187 S N -0.668 115.000 115.700 -0.054 0.000 2.562 187 S HA -0.061 4.410 4.470 0.002 0.000 0.221 187 S C 0.660 175.200 174.600 -0.099 0.000 0.975 187 S CA 0.204 58.367 58.200 -0.062 0.000 0.918 187 S CB -0.236 62.939 63.200 -0.042 0.000 0.772 187 S HN 0.565 nan 8.310 nan 0.000 0.531 188 D N -0.101 120.243 120.400 -0.094 0.000 2.509 188 D HA 0.177 4.818 4.640 0.002 0.000 0.275 188 D C 0.629 176.850 176.300 -0.131 0.000 1.189 188 D CA -1.101 52.825 54.000 -0.124 0.000 1.098 188 D CB -0.656 40.123 40.800 -0.035 0.000 1.177 188 D HN 0.243 nan 8.370 nan 0.000 0.599 189 W N -0.425 120.839 121.300 -0.060 0.000 2.468 189 W HA 0.163 4.825 4.660 0.002 0.000 0.262 189 W C 2.231 178.691 176.519 -0.098 0.000 1.241 189 W CA 0.540 57.841 57.345 -0.074 0.000 1.232 189 W CB -0.000 29.421 29.460 -0.064 0.000 1.124 189 W HN 0.565 nan 8.180 nan 0.000 0.597 190 G N 0.067 108.932 108.800 0.109 0.000 2.679 190 G HA2 -0.217 3.744 3.960 0.002 0.000 0.212 190 G HA3 -0.217 3.744 3.960 0.002 0.000 0.212 190 G C 1.274 176.135 174.900 -0.065 0.000 1.137 190 G CA 0.404 45.514 45.100 0.015 0.000 0.787 190 G HN 0.197 nan 8.290 nan 0.000 0.534 191 I N 1.355 121.846 120.570 -0.132 0.000 2.208 191 I HA -0.179 3.992 4.170 0.002 0.000 0.245 191 I C 2.001 177.858 176.117 -0.434 0.000 1.097 191 I CA 1.527 62.621 61.300 -0.344 0.000 1.363 191 I CB -0.082 37.652 38.000 -0.443 0.000 1.051 191 I HN 0.140 nan 8.210 nan 0.000 0.413 192 D N -0.677 119.592 120.400 -0.218 0.000 2.144 192 D HA -0.150 4.491 4.640 0.002 0.000 0.200 192 D C 2.045 178.359 176.300 0.024 0.000 0.978 192 D CA 1.818 55.764 54.000 -0.091 0.000 0.833 192 D CB -0.259 40.556 40.800 0.025 0.000 0.961 192 D HN 0.375 nan 8.370 nan 0.000 0.470 193 T N 1.979 116.547 114.554 0.024 0.000 2.684 193 T HA -0.114 4.237 4.350 0.002 0.000 0.267 193 T C 2.021 176.821 174.700 0.168 0.000 1.036 193 T CA 0.445 62.609 62.100 0.106 0.000 1.148 193 T CB -0.110 68.766 68.868 0.014 0.000 0.863 193 T HN 0.063 nan 8.240 nan 0.000 0.436 194 L N -0.056 121.199 121.223 0.053 0.000 2.046 194 L HA -0.064 4.277 4.340 0.002 0.000 0.208 194 L C 2.461 179.465 176.870 0.223 0.000 1.077 194 L CA 1.871 56.768 54.840 0.095 0.000 0.747 194 L CB -1.204 40.852 42.059 -0.005 0.000 0.896 194 L HN 0.311 nan 8.230 nan 0.000 0.432 195 Y N 0.613 120.953 120.300 0.066 0.000 2.128 195 Y HA -0.214 4.337 4.550 0.001 0.000 0.284 195 Y C 2.887 178.810 175.900 0.038 0.000 1.154 195 Y CA 1.333 59.457 58.100 0.039 0.000 1.149 195 Y CB -1.519 36.939 38.460 -0.003 0.000 0.976 195 Y HN 0.201 nan 8.280 nan 0.000 0.505 196 T N 0.432 115.124 114.554 0.231 0.000 2.708 196 T HA -0.216 4.135 4.350 0.002 0.000 0.266 196 T C 1.766 176.473 174.700 0.012 0.000 1.037 196 T CA 1.527 63.697 62.100 0.115 0.000 1.146 196 T CB -0.784 68.189 68.868 0.176 0.000 0.865 196 T HN 0.293 nan 8.240 nan 0.000 0.435 197 F N 1.593 121.516 119.950 -0.045 0.000 2.075 197 F HA -0.104 4.424 4.527 0.002 0.000 0.297 197 F C 2.408 178.096 175.800 -0.186 0.000 1.113 197 F CA 1.353 59.231 58.000 -0.204 0.000 1.218 197 F CB -0.481 38.449 39.000 -0.117 0.000 0.984 197 F HN 0.008 nan 8.300 nan 0.000 0.472 198 V N -0.252 119.728 119.914 0.110 0.000 2.719 198 V HA -0.133 3.988 4.120 0.002 0.000 0.252 198 V C 2.171 178.212 176.094 -0.089 0.000 1.065 198 V CA 2.284 64.596 62.300 0.021 0.000 1.086 198 V CB -1.058 30.858 31.823 0.154 0.000 0.700 198 V HN 0.612 nan 8.190 nan 0.000 0.467 199 T N -1.409 113.105 114.554 -0.066 0.000 2.746 199 T HA -0.154 4.197 4.350 0.002 0.000 0.267 199 T C 1.855 176.458 174.700 -0.162 0.000 1.039 199 T CA 1.892 63.941 62.100 -0.085 0.000 1.142 199 T CB -0.855 67.983 68.868 -0.050 0.000 0.866 199 T HN 0.356 nan 8.240 nan 0.000 0.444 200 V N 1.890 121.643 119.914 -0.269 0.000 2.307 200 V HA -0.178 3.943 4.120 0.002 0.000 0.245 200 V C 2.966 178.833 176.094 -0.378 0.000 1.045 200 V CA 2.056 64.152 62.300 -0.340 0.000 1.024 200 V CB -0.927 30.619 31.823 -0.462 0.000 0.651 200 V HN 0.536 nan 8.190 nan 0.000 0.449 201 Q N -0.522 118.957 119.800 -0.534 0.000 2.181 201 Q HA -0.244 4.097 4.340 0.002 0.000 0.205 201 Q C 2.065 177.924 176.000 -0.236 0.000 0.980 201 Q CA 1.451 56.973 55.803 -0.469 0.000 0.862 201 Q CB 0.002 28.401 28.738 -0.564 0.000 0.905 201 Q HN 0.586 nan 8.270 nan 0.000 0.429 202 Q N -1.225 118.471 119.800 -0.173 0.000 2.403 202 Q HA 0.077 4.418 4.340 0.002 0.000 0.203 202 Q C 0.665 176.618 176.000 -0.079 0.000 0.932 202 Q CA 0.745 56.490 55.803 -0.095 0.000 0.945 202 Q CB 0.954 29.657 28.738 -0.059 0.000 1.045 202 Q HN 0.592 nan 8.270 nan 0.000 0.511 203 G N 0.964 109.704 108.800 -0.100 0.000 2.176 203 G HA2 -0.255 3.706 3.960 0.002 0.000 0.252 203 G HA3 -0.255 3.706 3.960 0.002 0.000 0.252 203 G C 0.222 175.099 174.900 -0.038 0.000 1.024 203 G CA 0.228 45.286 45.100 -0.069 0.000 0.755 203 G HN 0.232 nan 8.290 nan 0.000 0.507 204 V N 1.508 121.398 119.914 -0.039 0.000 2.655 204 V HA 0.419 4.540 4.120 0.002 0.000 0.300 204 V C 1.370 177.488 176.094 0.039 0.000 1.044 204 V CA 0.350 62.650 62.300 0.000 0.000 1.095 204 V CB 1.337 33.158 31.823 -0.003 0.000 0.952 204 V HN 1.017 nan 8.190 nan 0.000 0.485 205 S N 6.173 121.928 115.700 0.091 0.000 2.531 205 S HA 0.611 5.082 4.470 0.002 0.000 0.279 205 S C -0.638 174.150 174.600 0.314 0.000 1.305 205 S CA -0.521 57.801 58.200 0.204 0.000 1.058 205 S CB 0.346 63.657 63.200 0.185 0.000 0.899 205 S HN 0.477 nan 8.310 nan 0.000 0.493 206 I N 3.120 123.875 120.570 0.307 0.000 2.466 206 I HA 0.375 4.546 4.170 0.002 0.000 0.289 206 I C -1.108 175.031 176.117 0.037 0.000 1.026 206 I CA -0.831 60.570 61.300 0.168 0.000 1.078 206 I CB 1.709 39.743 38.000 0.057 0.000 1.249 206 I HN 0.758 nan 8.210 nan 0.000 0.429 207 Y N 5.487 125.573 120.300 -0.357 0.000 2.364 207 Y HA 0.424 4.975 4.550 0.002 0.000 0.340 207 Y C -0.518 175.234 175.900 -0.246 0.000 0.975 207 Y CA -0.529 57.218 58.100 -0.589 0.000 1.089 207 Y CB 1.513 39.293 38.460 -1.134 0.000 1.192 207 Y HN 0.479 nan 8.280 nan 0.000 0.454 208 E N 5.638 125.456 120.200 -0.637 0.000 2.073 208 E HA 0.297 4.648 4.350 0.002 0.000 0.269 208 E C -1.047 175.390 176.600 -0.273 0.000 0.917 208 E CA -0.642 55.581 56.400 -0.294 0.000 0.757 208 E CB 0.849 30.417 29.700 -0.219 0.000 1.111 208 E HN 0.535 nan 8.360 nan 0.000 0.410 209 C N 3.011 122.270 119.300 -0.067 0.000 2.593 209 C HA 0.138 4.599 4.460 0.002 0.000 0.409 209 C C 0.115 175.059 174.990 -0.075 0.000 1.304 209 C CA -0.562 58.458 59.018 0.003 0.000 2.007 209 C CB -0.897 26.777 27.740 -0.109 0.000 2.614 209 C HN 0.657 nan 8.230 nan 0.000 0.585 210 Y N 4.334 124.465 120.300 -0.281 0.000 2.327 210 Y HA 0.579 5.130 4.550 0.002 0.000 0.336 210 Y C -0.176 175.433 175.900 -0.485 0.000 1.035 210 Y CA -0.582 57.144 58.100 -0.624 0.000 1.165 210 Y CB 0.264 38.421 38.460 -0.505 0.000 1.181 210 Y HN 0.476 nan 8.280 nan 0.000 0.494 211 I N 9.486 129.326 120.570 -1.218 0.000 2.410 211 I HA 0.236 4.407 4.170 0.002 0.000 0.286 211 I C -1.824 173.699 176.117 -0.991 0.000 1.009 211 I CA -2.512 58.172 61.300 -1.026 0.000 1.111 211 I CB 1.738 38.915 38.000 -1.371 0.000 1.262 211 I HN 0.521 nan 8.210 nan 0.000 0.443 212 P HA -0.106 nan 4.420 nan 0.000 0.218 212 P C -0.072 177.235 177.300 0.012 0.000 1.149 212 P CA 1.346 64.302 63.100 -0.240 0.000 0.817 212 P CB 0.576 32.285 31.700 0.015 0.000 0.785 213 E N -3.472 116.818 120.200 0.150 0.000 2.412 213 E HA 0.555 4.906 4.350 0.002 0.000 0.279 213 E C -0.088 176.787 176.600 0.458 0.000 0.984 213 E CA -0.714 55.867 56.400 0.301 0.000 0.788 213 E CB 1.260 31.137 29.700 0.294 0.000 1.277 213 E HN -0.024 nan 8.360 nan 0.000 0.455 214 G N 1.217 110.208 108.800 0.319 0.000 3.259 214 G HA2 -0.140 3.821 3.960 0.002 0.000 0.217 214 G HA3 -0.140 3.821 3.960 0.002 0.000 0.217 214 G C -0.307 174.600 174.900 0.012 0.000 0.993 214 G CA -0.597 44.724 45.100 0.369 0.000 0.836 214 G HN 0.292 nan 8.290 nan 0.000 0.514 215 K N 1.746 121.922 120.400 -0.373 0.000 2.416 215 K HA 0.523 4.844 4.320 0.002 0.000 0.283 215 K C 0.786 177.207 176.600 -0.299 0.000 1.037 215 K CA 0.426 56.475 56.287 -0.397 0.000 0.995 215 K CB 1.339 33.565 32.500 -0.457 0.000 0.938 215 K HN 0.464 nan 8.250 nan 0.000 0.475 216 A N 4.080 126.786 122.820 -0.191 0.000 2.483 216 A HA 0.052 4.373 4.320 0.002 0.000 0.238 216 A C -0.291 177.191 177.584 -0.169 0.000 1.070 216 A CA -0.137 51.787 52.037 -0.188 0.000 0.770 216 A CB 0.149 19.123 19.000 -0.042 0.000 1.008 216 A HN 0.623 nan 8.150 nan 0.000 0.497 217 H N 1.470 120.583 119.070 0.072 0.000 2.489 217 H HA 0.293 4.850 4.556 0.002 0.000 0.322 217 H C 0.652 176.034 175.328 0.091 0.000 1.091 217 H CA -0.343 55.757 56.048 0.088 0.000 1.291 217 H CB 0.843 30.668 29.762 0.104 0.000 1.436 217 H HN 0.803 nan 8.280 nan 0.000 0.480 218 R N 2.404 123.033 120.500 0.214 0.000 2.784 218 R HA 0.166 4.507 4.340 0.002 0.000 0.266 218 R C -0.174 176.232 176.300 0.176 0.000 1.044 218 R CA -0.602 55.594 56.100 0.160 0.000 1.151 218 R CB 0.426 30.801 30.300 0.125 0.000 1.037 218 R HN 0.404 nan 8.270 nan 0.000 0.478 219 L N 1.686 122.999 121.223 0.149 0.000 2.529 219 L HA -0.059 4.282 4.340 0.002 0.000 0.287 219 L C 0.402 177.386 176.870 0.190 0.000 1.241 219 L CA -0.163 54.773 54.840 0.161 0.000 0.857 219 L CB -0.124 42.013 42.059 0.130 0.000 1.113 219 L HN 0.565 nan 8.230 nan 0.000 0.504 220 Y N 2.064 122.409 120.300 0.075 0.000 2.729 220 Y HA 0.346 4.896 4.550 0.002 0.000 0.331 220 Y C 0.546 176.492 175.900 0.077 0.000 1.208 220 Y CA 0.616 58.756 58.100 0.067 0.000 1.521 220 Y CB 0.209 38.695 38.460 0.043 0.000 1.233 220 Y HN 0.549 nan 8.280 nan 0.000 0.539 221 G N 3.158 111.757 108.800 -0.333 0.000 2.550 221 G HA2 0.451 4.412 3.960 0.002 0.000 0.293 221 G HA3 0.451 4.412 3.960 0.002 0.000 0.293 221 G C -0.496 174.289 174.900 -0.192 0.000 1.402 221 G CA -0.494 44.453 45.100 -0.254 0.000 0.784 221 G HN 0.929 nan 8.290 nan 0.000 0.482 222 G N -1.234 107.521 108.800 -0.075 0.000 2.699 222 G HA2 0.399 4.360 3.960 0.002 0.000 0.246 222 G HA3 0.399 4.360 3.960 0.002 0.000 0.246 222 G C 1.219 176.168 174.900 0.082 0.000 1.219 222 G CA -0.536 44.584 45.100 0.033 0.000 0.866 222 G HN 0.644 nan 8.290 nan 0.000 0.572 223 L N -0.209 121.067 121.223 0.088 0.000 2.265 223 L HA -0.101 4.240 4.340 0.002 0.000 0.215 223 L C 2.412 179.535 176.870 0.421 0.000 1.117 223 L CA 0.867 55.804 54.840 0.163 0.000 0.782 223 L CB -0.269 41.746 42.059 -0.074 0.000 0.914 223 L HN 0.545 nan 8.230 nan 0.000 0.441 224 D N 0.728 121.338 120.400 0.349 0.000 2.172 224 D HA -0.234 4.407 4.640 0.002 0.000 0.196 224 D C 1.564 177.847 176.300 -0.027 0.000 0.999 224 D CA 1.284 55.300 54.000 0.026 0.000 0.856 224 D CB 0.023 40.820 40.800 -0.005 0.000 0.934 224 D HN 0.275 nan 8.370 nan 0.000 0.453 225 D N -0.596 119.830 120.400 0.043 0.000 2.263 225 D HA -0.093 4.548 4.640 0.002 0.000 0.208 225 D C 1.547 177.854 176.300 0.013 0.000 0.971 225 D CA 0.433 54.449 54.000 0.026 0.000 0.867 225 D CB -0.040 40.786 40.800 0.043 0.000 0.929 225 D HN 0.359 nan 8.370 nan 0.000 0.492 226 L N -0.159 121.089 121.223 0.042 0.000 2.700 226 L HA 0.244 4.585 4.340 0.002 0.000 0.234 226 L C 2.105 178.913 176.870 -0.104 0.000 1.156 226 L CA -0.204 54.613 54.840 -0.038 0.000 0.946 226 L CB 0.207 42.285 42.059 0.032 0.000 1.216 226 L HN -0.136 nan 8.230 nan 0.000 0.493 227 R N 0.204 120.651 120.500 -0.088 0.000 2.081 227 R HA -0.153 4.188 4.340 0.002 0.000 0.235 227 R C 2.023 178.253 176.300 -0.117 0.000 1.131 227 R CA 2.067 58.072 56.100 -0.159 0.000 0.960 227 R CB -0.097 29.951 30.300 -0.421 0.000 0.856 227 R HN 0.187 nan 8.270 nan 0.000 0.436 228 T N 0.997 115.511 114.554 -0.068 0.000 2.708 228 T HA -0.181 4.170 4.350 0.002 0.000 0.266 228 T C 1.683 176.396 174.700 0.022 0.000 1.037 228 T CA 1.585 63.702 62.100 0.028 0.000 1.146 228 T CB -0.151 68.792 68.868 0.125 0.000 0.865 228 T HN 0.289 nan 8.240 nan 0.000 0.435 229 M N 0.576 120.065 119.600 -0.185 0.000 2.108 229 M HA -0.085 4.396 4.480 0.002 0.000 0.261 229 M C 2.159 178.276 176.300 -0.305 0.000 1.066 229 M CA 1.450 56.460 55.300 -0.482 0.000 1.107 229 M CB -0.233 31.761 32.600 -1.009 0.000 1.356 229 M HN 0.252 nan 8.290 nan 0.000 0.406 230 L N 0.365 121.386 121.223 -0.337 0.000 1.989 230 L HA -0.142 4.199 4.340 0.002 0.000 0.211 230 L C 2.341 179.081 176.870 -0.217 0.000 1.071 230 L CA 2.195 56.783 54.840 -0.420 0.000 0.749 230 L CB -0.933 40.751 42.059 -0.624 0.000 0.890 230 L HN 0.373 nan 8.230 nan 0.000 0.431 231 V N -3.077 116.786 119.914 -0.085 0.000 2.667 231 V HA -0.147 3.974 4.120 0.002 0.000 0.252 231 V C 2.136 178.290 176.094 0.101 0.000 1.065 231 V CA 1.771 64.103 62.300 0.053 0.000 1.083 231 V CB -0.964 30.968 31.823 0.182 0.000 0.692 231 V HN 0.608 nan 8.190 nan 0.000 0.468 232 E N -0.297 119.946 120.200 0.072 0.000 2.112 232 E HA -0.087 4.264 4.350 0.002 0.000 0.190 232 E C 2.219 178.835 176.600 0.026 0.000 0.979 232 E CA 1.460 57.914 56.400 0.090 0.000 0.814 232 E CB -0.233 29.565 29.700 0.164 0.000 0.762 232 E HN 0.698 nan 8.360 nan 0.000 0.460 233 C N 0.437 119.721 119.300 -0.028 0.000 2.457 233 C HA -0.075 4.386 4.460 0.002 0.000 0.278 233 C C 2.372 177.291 174.990 -0.118 0.000 1.309 233 C CA 0.146 59.115 59.018 -0.081 0.000 1.735 233 C CB -0.854 26.808 27.740 -0.131 0.000 1.992 233 C HN 0.417 nan 8.230 nan 0.000 0.493 234 F N 2.359 122.159 119.950 -0.249 0.000 2.146 234 F HA -0.022 4.506 4.527 0.002 0.000 0.298 234 F C 2.357 177.988 175.800 -0.282 0.000 1.096 234 F CA 1.464 59.259 58.000 -0.341 0.000 1.275 234 F CB -0.506 38.158 39.000 -0.560 0.000 1.008 234 F HN 0.142 nan 8.300 nan 0.000 0.480 235 A N 0.382 123.113 122.820 -0.149 0.000 1.940 235 A HA -0.101 4.220 4.320 0.002 0.000 0.219 235 A C 2.401 179.877 177.584 -0.180 0.000 1.176 235 A CA 1.813 53.807 52.037 -0.072 0.000 0.631 235 A CB -1.534 17.554 19.000 0.147 0.000 0.814 235 A HN 0.508 nan 8.150 nan 0.000 0.446 236 A N 0.067 122.786 122.820 -0.168 0.000 1.877 236 A HA -0.054 4.267 4.320 0.002 0.000 0.216 236 A C 2.039 179.488 177.584 -0.225 0.000 1.186 236 A CA 1.552 53.495 52.037 -0.158 0.000 0.620 236 A CB -0.483 18.452 19.000 -0.109 0.000 0.822 236 A HN 0.405 nan 8.150 nan 0.000 0.443 237 I N -0.006 120.382 120.570 -0.302 0.000 2.163 237 I HA -0.274 3.897 4.170 0.002 0.000 0.243 237 I C 2.683 178.600 176.117 -0.333 0.000 1.085 237 I CA 1.988 63.118 61.300 -0.282 0.000 1.347 237 I CB -1.386 36.411 38.000 -0.340 0.000 1.044 237 I HN 0.575 nan 8.210 nan 0.000 0.408 238 Q N 0.878 120.340 119.800 -0.563 0.000 2.135 238 Q HA -0.217 4.124 4.340 0.002 0.000 0.204 238 Q C 2.343 178.187 176.000 -0.260 0.000 0.981 238 Q CA 2.549 58.074 55.803 -0.463 0.000 0.856 238 Q CB 0.058 28.498 28.738 -0.497 0.000 0.902 238 Q HN 0.608 nan 8.270 nan 0.000 0.425 239 S N -0.290 115.287 115.700 -0.205 0.000 2.423 239 S HA -0.090 4.381 4.470 0.002 0.000 0.231 239 S C 1.708 176.226 174.600 -0.138 0.000 1.014 239 S CA 0.791 58.911 58.200 -0.133 0.000 0.965 239 S CB -0.232 62.902 63.200 -0.110 0.000 0.785 239 S HN 0.455 nan 8.310 nan 0.000 0.495 240 L N 1.559 122.673 121.223 -0.182 0.000 2.592 240 L HA 0.135 4.476 4.340 0.002 0.000 0.227 240 L C 2.735 179.644 176.870 0.065 0.000 1.127 240 L CA 0.413 55.132 54.840 -0.202 0.000 0.884 240 L CB -0.416 41.310 42.059 -0.555 0.000 1.065 240 L HN 0.520 nan 8.230 nan 0.000 0.457 241 Q N -0.559 119.193 119.800 -0.081 0.000 2.291 241 Q HA -0.198 4.143 4.340 0.002 0.000 0.206 241 Q C 1.107 176.960 176.000 -0.245 0.000 0.976 241 Q CA 1.337 57.004 55.803 -0.227 0.000 0.875 241 Q CB -0.191 28.263 28.738 -0.474 0.000 0.927 241 Q HN 0.534 nan 8.270 nan 0.000 0.450 242 H N 0.485 119.621 119.070 0.111 0.000 2.551 242 H HA 0.275 4.832 4.556 0.002 0.000 0.271 242 H C -0.077 175.377 175.328 0.209 0.000 0.984 242 H CA -0.079 56.035 56.048 0.110 0.000 1.164 242 H CB 0.340 30.129 29.762 0.045 0.000 1.437 242 H HN 0.314 nan 8.280 nan 0.000 0.550 243 E N 1.393 121.836 120.200 0.406 0.000 2.404 243 E HA 0.112 4.463 4.350 0.002 0.000 0.261 243 E C -0.017 176.893 176.600 0.516 0.000 1.074 243 E CA -0.174 56.470 56.400 0.407 0.000 0.917 243 E CB 2.116 32.057 29.700 0.402 0.000 0.965 243 E HN -0.090 nan 8.360 nan 0.000 0.433 244 V N 2.708 122.816 119.914 0.323 0.000 2.427 244 V HA 0.244 4.365 4.120 0.002 0.000 0.286 244 V C -0.088 176.083 176.094 0.127 0.000 1.034 244 V CA -0.561 61.898 62.300 0.266 0.000 0.893 244 V CB 1.757 33.679 31.823 0.165 0.000 0.982 244 V HN 0.332 nan 8.190 nan 0.000 0.452 245 V N 4.060 124.028 119.914 0.091 0.000 2.577 245 V HA 0.648 4.769 4.120 0.002 0.000 0.303 245 V C 0.630 176.716 176.094 -0.014 0.000 1.042 245 V CA -0.471 61.758 62.300 -0.119 0.000 0.872 245 V CB 1.675 33.230 31.823 -0.447 0.000 0.998 245 V HN 0.930 nan 8.190 nan 0.000 0.423 246 G N 1.909 110.681 108.800 -0.047 0.000 2.599 246 G HA2 0.318 4.279 3.960 0.002 0.000 0.264 246 G HA3 0.318 4.279 3.960 0.002 0.000 0.264 246 G C 0.422 175.312 174.900 -0.016 0.000 1.200 246 G CA 0.011 45.102 45.100 -0.014 0.000 0.896 246 G HN 0.771 nan 8.290 nan 0.000 0.536 247 Q N -0.343 119.460 119.800 0.005 0.000 2.096 247 Q HA 0.056 4.397 4.340 0.002 0.000 0.197 247 Q C -1.103 174.884 176.000 -0.021 0.000 0.964 247 Q CA 0.086 55.896 55.803 0.011 0.000 0.838 247 Q CB -0.790 27.960 28.738 0.020 0.000 0.906 247 Q HN 0.408 nan 8.270 nan 0.000 0.444 248 P HA 0.071 nan 4.420 nan 0.000 0.263 248 P C -1.565 175.710 177.300 -0.042 0.000 1.175 248 P CA 0.601 63.681 63.100 -0.033 0.000 0.761 248 P CB 1.031 32.712 31.700 -0.031 0.000 0.794 249 A N 2.978 125.780 122.820 -0.030 0.000 2.582 249 A HA 0.592 4.913 4.320 0.002 0.000 0.297 249 A C -1.360 176.236 177.584 0.020 0.000 1.059 249 A CA -0.539 51.487 52.037 -0.018 0.000 0.705 249 A CB 0.887 19.867 19.000 -0.032 0.000 1.279 249 A HN 0.398 nan 8.150 nan 0.000 0.404 250 I N 2.963 123.571 120.570 0.063 0.000 2.382 250 I HA 0.399 4.570 4.170 0.002 0.000 0.285 250 I C -0.369 175.881 176.117 0.222 0.000 1.007 250 I CA -0.118 61.258 61.300 0.127 0.000 1.142 250 I CB 1.383 39.463 38.000 0.134 0.000 1.289 250 I HN 0.811 nan 8.210 nan 0.000 0.453 251 H N 6.924 126.023 119.070 0.048 0.000 3.172 251 H HA 0.476 5.033 4.556 0.002 0.000 0.322 251 H C -1.212 174.091 175.328 -0.041 0.000 1.003 251 H CA -0.896 55.150 56.048 -0.003 0.000 1.466 251 H CB 1.101 30.831 29.762 -0.053 0.000 1.673 251 H HN 0.486 nan 8.280 nan 0.000 0.512 252 R N 3.266 123.635 120.500 -0.217 0.000 2.832 252 R HA 0.369 4.710 4.340 0.002 0.000 0.271 252 R C -0.707 175.221 176.300 -0.621 0.000 0.996 252 R CA -0.871 55.013 56.100 -0.360 0.000 0.977 252 R CB 1.928 32.185 30.300 -0.071 0.000 1.168 252 R HN 0.699 nan 8.270 nan 0.000 0.482 253 Q N 0.565 120.040 119.800 -0.541 0.000 2.304 253 Q HA 0.266 4.607 4.340 0.002 0.000 0.270 253 Q C -0.852 174.954 176.000 -0.324 0.000 1.035 253 Q CA -0.653 54.859 55.803 -0.486 0.000 0.781 253 Q CB 3.047 31.562 28.738 -0.371 0.000 1.261 253 Q HN 0.476 nan 8.270 nan 0.000 0.444 254 E N 1.915 121.937 120.200 -0.297 0.000 2.384 254 E HA -0.049 4.302 4.350 0.002 0.000 0.266 254 E C -0.861 175.756 176.600 0.028 0.000 1.012 254 E CA -0.130 56.245 56.400 -0.042 0.000 0.901 254 E CB 0.581 30.318 29.700 0.062 0.000 0.967 254 E HN 0.513 nan 8.360 nan 0.000 0.435 255 H N 4.728 123.743 119.070 -0.091 0.000 2.886 255 H HA 0.149 4.706 4.556 0.002 0.000 0.329 255 H C -2.062 173.064 175.328 -0.337 0.000 1.044 255 H CA -1.259 54.695 56.048 -0.157 0.000 1.456 255 H CB 0.645 30.312 29.762 -0.157 0.000 1.464 255 H HN 0.391 nan 8.280 nan 0.000 0.573 256 P HA 0.020 nan 4.420 nan 0.000 0.268 256 P C -0.647 176.350 177.300 -0.506 0.000 1.208 256 P CA 0.244 62.668 63.100 -1.127 0.000 0.777 256 P CB 0.593 31.831 31.700 -0.769 0.000 0.875 257 H N 0.262 119.037 119.070 -0.491 0.000 2.534 257 H HA 0.322 4.879 4.556 0.002 0.000 0.364 257 H C 0.507 175.835 175.328 -0.000 0.000 1.328 257 H CA -0.232 55.782 56.048 -0.058 0.000 1.415 257 H CB 0.648 30.468 29.762 0.096 0.000 1.573 257 H HN 0.248 nan 8.280 nan 0.000 0.601 258 R N 0.188 120.835 120.500 0.245 0.000 2.640 258 R HA 0.069 4.410 4.340 0.002 0.000 0.270 258 R C -0.570 175.826 176.300 0.161 0.000 1.024 258 R CA -0.266 55.932 56.100 0.164 0.000 1.085 258 R CB 0.190 30.573 30.300 0.138 0.000 0.963 258 R HN 0.248 nan 8.270 nan 0.000 0.426 259 V N 5.000 124.985 119.914 0.119 0.000 2.617 259 V HA 0.070 4.191 4.120 0.002 0.000 0.304 259 V C -1.797 174.279 176.094 -0.030 0.000 1.040 259 V CA -1.366 60.959 62.300 0.042 0.000 1.149 259 V CB 0.399 32.123 31.823 -0.165 0.000 0.914 259 V HN 0.661 nan 8.190 nan 0.000 0.487 260 P HA 0.150 nan 4.420 nan 0.000 0.271 260 P C 0.890 178.119 177.300 -0.119 0.000 1.218 260 P CA -0.192 62.885 63.100 -0.039 0.000 0.780 260 P CB 0.797 32.481 31.700 -0.027 0.000 0.901 261 V N 1.981 121.881 119.914 -0.022 0.000 2.332 261 V HA -0.274 3.847 4.120 0.002 0.000 0.248 261 V C 2.360 178.439 176.094 -0.026 0.000 1.055 261 V CA 2.277 64.561 62.300 -0.027 0.000 1.038 261 V CB -1.650 30.190 31.823 0.029 0.000 0.651 261 V HN 0.770 nan 8.190 nan 0.000 0.450 262 H N -0.620 118.443 119.070 -0.011 0.000 2.489 262 H HA -0.069 4.488 4.556 0.002 0.000 0.293 262 H C 2.107 177.431 175.328 -0.006 0.000 1.066 262 H CA 1.615 57.663 56.048 -0.000 0.000 1.305 262 H CB -0.188 29.594 29.762 0.033 0.000 1.386 262 H HN 0.350 nan 8.280 nan 0.000 0.551 263 I N 1.585 121.878 120.570 -0.461 0.000 2.339 263 I HA -0.050 4.121 4.170 0.002 0.000 0.245 263 I C 2.941 178.932 176.117 -0.210 0.000 1.096 263 I CA 1.031 62.160 61.300 -0.286 0.000 1.408 263 I CB -1.290 36.554 38.000 -0.260 0.000 1.092 263 I HN 0.319 nan 8.210 nan 0.000 0.423 264 A N 0.502 123.109 122.820 -0.355 0.000 1.972 264 A HA -0.183 4.138 4.320 0.002 0.000 0.219 264 A C 2.030 179.556 177.584 -0.096 0.000 1.169 264 A CA 1.445 53.226 52.037 -0.426 0.000 0.635 264 A CB -0.547 18.178 19.000 -0.457 0.000 0.810 264 A HN 0.509 nan 8.150 nan 0.000 0.446 265 E N -1.045 119.115 120.200 -0.068 0.000 2.479 265 E HA 0.044 4.395 4.350 0.002 0.000 0.193 265 E C 0.820 177.411 176.600 -0.014 0.000 1.049 265 E CA -0.384 56.004 56.400 -0.020 0.000 0.870 265 E CB 0.125 29.818 29.700 -0.012 0.000 0.944 265 E HN 0.513 nan 8.360 nan 0.000 0.492 266 R N 1.373 121.862 120.500 -0.018 0.000 2.441 266 R HA 0.220 4.561 4.340 0.002 0.000 0.284 266 R C -0.800 175.500 176.300 -0.001 0.000 1.070 266 R CA -0.172 55.909 56.100 -0.032 0.000 1.047 266 R CB 0.815 31.062 30.300 -0.088 0.000 1.016 266 R HN -0.158 nan 8.270 nan 0.000 0.477 267 V N 4.097 124.004 119.914 -0.012 0.000 2.398 267 V HA 0.313 4.434 4.120 0.002 0.000 0.286 267 V C 1.020 177.146 176.094 0.054 0.000 1.026 267 V CA -0.220 62.077 62.300 -0.004 0.000 0.868 267 V CB 1.625 33.422 31.823 -0.043 0.000 0.982 267 V HN 1.084 nan 8.190 nan 0.000 0.443 268 G N 3.815 112.671 108.800 0.092 0.000 3.042 268 G HA2 0.210 4.171 3.960 0.002 0.000 0.212 268 G HA3 0.210 4.171 3.960 0.002 0.000 0.212 268 G C 0.081 175.134 174.900 0.256 0.000 1.166 268 G CA 0.456 45.663 45.100 0.179 0.000 0.767 268 G HN 0.805 nan 8.290 nan 0.000 0.546 269 Y N -2.153 118.170 120.300 0.038 0.000 2.656 269 Y HA 0.602 5.152 4.550 0.002 0.000 0.334 269 Y C -1.948 173.854 175.900 -0.162 0.000 1.179 269 Y CA -2.286 55.759 58.100 -0.093 0.000 1.050 269 Y CB 0.891 39.295 38.460 -0.093 0.000 1.308 269 Y HN -0.128 nan 8.280 nan 0.000 0.456 270 D N 1.525 121.722 120.400 -0.338 0.000 2.365 270 D HA 0.242 4.883 4.640 0.002 0.000 0.237 270 D C 0.611 176.858 176.300 -0.088 0.000 1.190 270 D CA -0.026 53.744 54.000 -0.384 0.000 0.867 270 D CB 1.809 42.239 40.800 -0.615 0.000 1.050 270 D HN 0.541 nan 8.370 nan 0.000 0.491 271 V N 4.315 124.132 119.914 -0.163 0.000 2.358 271 V HA -0.166 3.955 4.120 0.002 0.000 0.246 271 V C 2.342 178.442 176.094 0.010 0.000 1.047 271 V CA 1.648 63.893 62.300 -0.092 0.000 1.035 271 V CB -0.469 31.237 31.823 -0.195 0.000 0.658 271 V HN 0.670 nan 8.190 nan 0.000 0.452 272 E N 0.412 120.620 120.200 0.013 0.000 2.058 272 E HA -0.249 4.102 4.350 0.002 0.000 0.194 272 E C 2.234 178.884 176.600 0.082 0.000 0.997 272 E CA 1.528 57.953 56.400 0.042 0.000 0.801 272 E CB -0.197 29.527 29.700 0.040 0.000 0.746 272 E HN 0.549 nan 8.360 nan 0.000 0.450 273 A N 0.205 123.070 122.820 0.075 0.000 1.933 273 A HA -0.144 4.177 4.320 0.002 0.000 0.218 273 A C 2.342 179.992 177.584 0.109 0.000 1.175 273 A CA 1.930 54.029 52.037 0.104 0.000 0.628 273 A CB -0.770 18.258 19.000 0.046 0.000 0.814 273 A HN 0.326 nan 8.150 nan 0.000 0.444 274 T N 0.374 114.984 114.554 0.095 0.000 2.821 274 T HA -0.033 4.318 4.350 0.002 0.000 0.267 274 T C 1.792 176.522 174.700 0.050 0.000 1.046 274 T CA 1.347 63.488 62.100 0.069 0.000 1.139 274 T CB -0.335 68.580 68.868 0.078 0.000 0.871 274 T HN 0.371 nan 8.240 nan 0.000 0.454 275 L N 0.055 121.322 121.223 0.073 0.000 2.046 275 L HA -0.119 4.222 4.340 0.002 0.000 0.208 275 L C 2.551 179.519 176.870 0.163 0.000 1.077 275 L CA 1.585 56.484 54.840 0.098 0.000 0.747 275 L CB -0.647 41.472 42.059 0.099 0.000 0.896 275 L HN 0.446 nan 8.230 nan 0.000 0.432 276 H N -0.051 119.047 119.070 0.046 0.000 2.353 276 H HA -0.227 4.330 4.556 0.002 0.000 0.300 276 H C 2.436 177.787 175.328 0.038 0.000 1.090 276 H CA 1.401 57.474 56.048 0.042 0.000 1.327 276 H CB 0.332 30.113 29.762 0.031 0.000 1.383 276 H HN 0.038 nan 8.280 nan 0.000 0.508 277 R N 0.833 121.358 120.500 0.042 0.000 2.148 277 R HA -0.081 4.260 4.340 0.002 0.000 0.227 277 R C 2.226 178.541 176.300 0.024 0.000 1.103 277 R CA 0.740 56.807 56.100 -0.055 0.000 0.983 277 R CB -0.817 29.523 30.300 0.068 0.000 0.874 277 R HN 0.359 nan 8.270 nan 0.000 0.451 278 L N 0.011 121.277 121.223 0.071 0.000 2.187 278 L HA -0.003 4.338 4.340 0.002 0.000 0.213 278 L C 1.637 178.633 176.870 0.209 0.000 1.100 278 L CA 1.787 56.681 54.840 0.090 0.000 0.765 278 L CB -0.220 41.898 42.059 0.098 0.000 0.904 278 L HN 0.288 nan 8.230 nan 0.000 0.437 279 M N -1.526 118.204 119.600 0.216 0.000 2.561 279 M HA 0.054 4.535 4.480 0.002 0.000 0.238 279 M C 0.333 176.807 176.300 0.290 0.000 1.131 279 M CA 0.329 55.816 55.300 0.311 0.000 1.046 279 M CB 0.105 32.845 32.600 0.233 0.000 1.532 279 M HN 0.226 nan 8.290 nan 0.000 0.497 280 Q N -0.737 119.093 119.800 0.050 0.000 2.241 280 Q HA 0.270 4.611 4.340 0.002 0.000 0.262 280 Q C -0.378 175.519 176.000 -0.172 0.000 1.014 280 Q CA -0.865 54.835 55.803 -0.172 0.000 0.885 280 Q CB 1.062 29.415 28.738 -0.641 0.000 1.311 280 Q HN 0.220 nan 8.270 nan 0.000 0.461 281 H N -1.892 117.205 119.070 0.045 0.000 2.862 281 H HA -0.167 4.390 4.556 0.002 0.000 0.290 281 H C -1.288 174.003 175.328 -0.062 0.000 1.211 281 H CA 0.405 56.442 56.048 -0.019 0.000 1.140 281 H CB -2.085 27.634 29.762 -0.071 0.000 1.341 281 H HN 0.522 nan 8.280 nan 0.000 0.392 282 W N 0.566 121.927 121.300 0.100 0.000 2.202 282 W HA 0.419 5.080 4.660 0.002 0.000 0.332 282 W C 0.616 177.155 176.519 0.033 0.000 1.263 282 W CA 0.552 57.926 57.345 0.049 0.000 1.223 282 W CB 1.046 30.520 29.460 0.022 0.000 1.128 282 W HN 0.013 nan 8.180 nan 0.000 0.573 283 T N 2.824 117.549 114.554 0.285 0.000 2.906 283 T HA 0.204 4.555 4.350 0.002 0.000 0.295 283 T C -1.994 172.804 174.700 0.162 0.000 1.075 283 T CA -1.237 60.962 62.100 0.166 0.000 1.005 283 T CB 1.794 70.704 68.868 0.069 0.000 1.136 283 T HN 0.027 nan 8.240 nan 0.000 0.498 284 P HA -0.097 nan 4.420 nan 0.000 0.216 284 P C 1.506 178.831 177.300 0.041 0.000 1.150 284 P CA 0.916 64.050 63.100 0.057 0.000 0.843 284 P CB 0.277 31.994 31.700 0.029 0.000 0.787 285 R N -0.108 120.403 120.500 0.019 0.000 2.075 285 R HA -0.142 4.199 4.340 0.002 0.000 0.232 285 R C 2.295 178.558 176.300 -0.062 0.000 1.126 285 R CA 1.477 57.560 56.100 -0.028 0.000 0.963 285 R CB -0.502 29.768 30.300 -0.050 0.000 0.858 285 R HN 0.171 nan 8.270 nan 0.000 0.435 286 Q N -0.404 119.379 119.800 -0.029 0.000 2.096 286 Q HA -0.145 4.196 4.340 0.002 0.000 0.204 286 Q C 2.118 178.177 176.000 0.099 0.000 0.982 286 Q CA 1.927 57.704 55.803 -0.044 0.000 0.850 286 Q CB 0.023 28.740 28.738 -0.036 0.000 0.901 286 Q HN 0.205 nan 8.270 nan 0.000 0.422 287 V N 1.023 121.063 119.914 0.209 0.000 2.332 287 V HA -0.300 3.821 4.120 0.002 0.000 0.248 287 V C 2.172 178.299 176.094 0.054 0.000 1.055 287 V CA 2.243 64.632 62.300 0.148 0.000 1.038 287 V CB -0.586 31.268 31.823 0.052 0.000 0.651 287 V HN 0.445 nan 8.190 nan 0.000 0.450 288 E N 0.081 120.294 120.200 0.021 0.000 2.107 288 E HA -0.165 4.186 4.350 0.002 0.000 0.191 288 E C 2.173 178.773 176.600 0.000 0.000 0.982 288 E CA 0.990 57.392 56.400 0.004 0.000 0.809 288 E CB -0.156 29.540 29.700 -0.005 0.000 0.756 288 E HN 0.581 nan 8.360 nan 0.000 0.459 289 L N 0.747 121.939 121.223 -0.052 0.000 2.265 289 L HA -0.143 4.198 4.340 0.002 0.000 0.215 289 L C 2.340 179.273 176.870 0.104 0.000 1.117 289 L CA 0.510 55.300 54.840 -0.083 0.000 0.782 289 L CB -0.238 41.565 42.059 -0.426 0.000 0.914 289 L HN 0.269 nan 8.230 nan 0.000 0.441 290 L N -0.451 120.843 121.223 0.119 0.000 2.353 290 L HA -0.185 4.156 4.340 0.002 0.000 0.220 290 L C 2.341 179.375 176.870 0.273 0.000 1.133 290 L CA 0.416 55.398 54.840 0.236 0.000 0.798 290 L CB -0.307 41.801 42.059 0.081 0.000 0.922 290 L HN 0.208 nan 8.230 nan 0.000 0.445 291 E N 0.532 120.822 120.200 0.149 0.000 2.209 291 E HA -0.203 4.148 4.350 0.002 0.000 0.196 291 E C 2.042 178.700 176.600 0.097 0.000 0.993 291 E CA 1.067 57.527 56.400 0.100 0.000 0.819 291 E CB -0.169 29.558 29.700 0.046 0.000 0.745 291 E HN 0.458 nan 8.360 nan 0.000 0.477 292 L N -0.530 120.752 121.223 0.098 0.000 2.376 292 L HA 0.013 4.354 4.340 0.002 0.000 0.219 292 L C 0.305 177.098 176.870 -0.129 0.000 1.133 292 L CA -0.028 54.763 54.840 -0.082 0.000 0.816 292 L CB -0.101 41.799 42.059 -0.265 0.000 0.933 292 L HN 0.015 nan 8.230 nan 0.000 0.449 293 F N -0.550 119.453 119.950 0.089 0.000 2.410 293 F HA 0.253 4.781 4.527 0.002 0.000 0.324 293 F C 1.338 177.189 175.800 0.085 0.000 1.093 293 F CA -1.151 56.914 58.000 0.109 0.000 1.028 293 F CB 0.533 39.608 39.000 0.124 0.000 1.309 293 F HN -0.195 nan 8.300 nan 0.000 0.499 294 T N -2.579 112.152 114.554 0.296 0.000 2.855 294 T HA 0.052 4.403 4.350 0.002 0.000 0.314 294 T C 1.030 175.826 174.700 0.161 0.000 1.077 294 T CA -0.273 61.941 62.100 0.191 0.000 1.095 294 T CB 0.659 69.638 68.868 0.186 0.000 0.987 294 T HN 0.621 nan 8.240 nan 0.000 0.546 295 T N 3.072 117.689 114.554 0.106 0.000 2.684 295 T HA -0.029 4.322 4.350 0.002 0.000 0.267 295 T C -0.732 173.990 174.700 0.036 0.000 1.036 295 T CA 1.595 63.733 62.100 0.063 0.000 1.148 295 T CB -1.375 67.521 68.868 0.046 0.000 0.863 295 T HN 0.598 nan 8.240 nan 0.000 0.436 296 P HA -0.008 nan 4.420 nan 0.000 0.216 296 P C 1.577 178.856 177.300 -0.036 0.000 1.150 296 P CA 0.580 63.708 63.100 0.046 0.000 0.837 296 P CB -0.164 31.619 31.700 0.138 0.000 0.786 297 V N -0.216 119.745 119.914 0.079 0.000 2.407 297 V HA -0.167 3.954 4.120 0.002 0.000 0.245 297 V C 2.691 178.696 176.094 -0.149 0.000 1.041 297 V CA 1.608 63.939 62.300 0.051 0.000 1.040 297 V CB -0.950 31.047 31.823 0.289 0.000 0.671 297 V HN 0.037 nan 8.190 nan 0.000 0.455 298 R N 0.262 120.747 120.500 -0.026 0.000 2.080 298 R HA -0.192 4.149 4.340 0.002 0.000 0.236 298 R C 2.292 178.511 176.300 -0.136 0.000 1.137 298 R CA 1.928 58.008 56.100 -0.034 0.000 0.943 298 R CB -0.186 30.143 30.300 0.048 0.000 0.846 298 R HN 0.454 nan 8.270 nan 0.000 0.431 299 E N -0.457 119.644 120.200 -0.166 0.000 2.107 299 E HA -0.083 4.268 4.350 0.002 0.000 0.191 299 E C 1.945 178.341 176.600 -0.340 0.000 0.982 299 E CA 1.264 57.545 56.400 -0.198 0.000 0.809 299 E CB -0.453 29.164 29.700 -0.138 0.000 0.756 299 E HN 0.610 nan 8.360 nan 0.000 0.459 300 G N 1.671 110.083 108.800 -0.646 0.000 2.421 300 G HA2 -0.223 3.738 3.960 0.002 0.000 0.216 300 G HA3 -0.223 3.738 3.960 0.002 0.000 0.216 300 G C 1.632 176.063 174.900 -0.782 0.000 1.171 300 G CA 0.346 44.734 45.100 -1.186 0.000 0.775 300 G HN 0.179 nan 8.290 nan 0.000 0.543 301 L N -0.096 120.783 121.223 -0.574 0.000 2.109 301 L HA 0.056 4.397 4.340 0.002 0.000 0.207 301 L C 3.135 180.054 176.870 0.082 0.000 1.086 301 L CA 0.881 55.722 54.840 0.001 0.000 0.760 301 L CB -0.313 41.820 42.059 0.123 0.000 0.910 301 L HN 0.238 nan 8.230 nan 0.000 0.437 302 R N -1.033 119.403 120.500 -0.107 0.000 2.120 302 R HA -0.143 4.198 4.340 0.002 0.000 0.234 302 R C 2.002 178.106 176.300 -0.325 0.000 1.123 302 R CA 1.718 57.643 56.100 -0.291 0.000 0.975 302 R CB -0.351 29.811 30.300 -0.229 0.000 0.866 302 R HN 0.339 nan 8.270 nan 0.000 0.446 303 T N 0.147 114.579 114.554 -0.204 0.000 2.803 303 T HA -0.161 4.190 4.350 0.002 0.000 0.269 303 T C 1.808 176.447 174.700 -0.102 0.000 1.052 303 T CA 1.100 63.109 62.100 -0.151 0.000 1.136 303 T CB -0.285 68.515 68.868 -0.113 0.000 0.864 303 T HN 0.396 nan 8.240 nan 0.000 0.467 304 C N 1.703 120.999 119.300 -0.007 0.000 2.430 304 C HA -0.032 4.429 4.460 0.002 0.000 0.288 304 C C 2.653 177.670 174.990 0.045 0.000 1.448 304 C CA 0.110 59.214 59.018 0.143 0.000 1.784 304 C CB -1.400 26.577 27.740 0.396 0.000 1.776 304 C HN 0.613 nan 8.230 nan 0.000 0.547 305 Q N 0.175 119.724 119.800 -0.418 0.000 2.226 305 Q HA -0.133 4.208 4.340 0.002 0.000 0.204 305 Q C 2.253 178.128 176.000 -0.208 0.000 0.975 305 Q CA 1.317 56.770 55.803 -0.584 0.000 0.866 305 Q CB -0.009 28.235 28.738 -0.822 0.000 0.915 305 Q HN 0.701 nan 8.270 nan 0.000 0.440 306 R N -0.455 119.960 120.500 -0.141 0.000 2.225 306 R HA 0.146 4.487 4.340 0.002 0.000 0.194 306 R C 0.023 176.312 176.300 -0.019 0.000 0.949 306 R CA 0.321 56.377 56.100 -0.073 0.000 1.088 306 R CB 0.670 30.917 30.300 -0.088 0.000 1.106 306 R HN 0.056 nan 8.270 nan 0.000 0.566 307 R N -0.488 120.011 120.500 -0.001 0.000 2.692 307 R HA 0.383 4.724 4.340 0.002 0.000 0.269 307 R C -3.207 173.138 176.300 0.075 0.000 1.030 307 R CA -2.125 53.995 56.100 0.034 0.000 0.882 307 R CB 0.224 30.530 30.300 0.009 0.000 1.250 307 R HN -0.266 nan 8.270 nan 0.000 0.465 308 P HA 0.278 nan 4.420 nan 0.000 0.271 308 P C -1.109 176.284 177.300 0.156 0.000 1.226 308 P CA -0.134 63.078 63.100 0.187 0.000 0.765 308 P CB 1.136 32.975 31.700 0.231 0.000 0.835 309 A N 3.266 126.210 122.820 0.207 0.000 2.386 309 A HA 0.753 5.074 4.320 0.002 0.000 0.311 309 A C -0.391 177.389 177.584 0.327 0.000 1.068 309 A CA -0.494 51.618 52.037 0.125 0.000 0.743 309 A CB 0.511 19.603 19.000 0.153 0.000 1.258 309 A HN 0.580 nan 8.150 nan 0.000 0.429 310 F N -0.220 119.807 119.950 0.128 0.000 3.043 310 F HA 0.238 4.766 4.527 0.002 0.000 0.400 310 F C 0.812 176.445 175.800 -0.278 0.000 1.022 310 F CA -0.308 57.577 58.000 -0.191 0.000 1.005 310 F CB -0.361 38.528 39.000 -0.185 0.000 1.338 310 F HN 0.365 nan 8.300 nan 0.000 0.543 311 N N 2.195 120.698 118.700 -0.328 0.000 2.192 311 N HA -0.185 4.556 4.740 0.002 0.000 0.188 311 N C 1.669 177.156 175.510 -0.039 0.000 1.013 311 N CA 2.162 55.125 53.050 -0.144 0.000 0.863 311 N CB -0.675 37.715 38.487 -0.160 0.000 0.990 311 N HN 0.652 nan 8.380 nan 0.000 0.430 312 F N -0.623 119.325 119.950 -0.003 0.000 2.365 312 F HA 0.123 4.651 4.527 0.002 0.000 0.300 312 F C 1.194 177.052 175.800 0.097 0.000 1.090 312 F CA 0.234 58.259 58.000 0.043 0.000 1.408 312 F CB -0.447 38.575 39.000 0.037 0.000 1.060 312 F HN -0.130 nan 8.300 nan 0.000 0.534 313 M N 3.532 122.702 119.600 -0.715 0.000 3.561 313 M HA 0.203 4.684 4.480 0.002 0.000 0.230 313 M C -0.612 175.627 176.300 -0.101 0.000 1.387 313 M CA -1.287 53.754 55.300 -0.432 0.000 1.570 313 M CB -1.430 30.769 32.600 -0.669 0.000 1.057 313 M HN 0.340 nan 8.290 nan 0.000 0.607 314 D N -0.741 119.684 120.400 0.041 0.000 2.447 314 D HA 0.026 4.667 4.640 0.002 0.000 0.265 314 D C 0.774 177.205 176.300 0.218 0.000 1.250 314 D CA -0.260 53.801 54.000 0.102 0.000 1.046 314 D CB 0.350 41.213 40.800 0.105 0.000 1.095 314 D HN 0.509 nan 8.370 nan 0.000 0.555 315 E N -1.047 119.300 120.200 0.245 0.000 2.097 315 E HA -0.217 4.134 4.350 0.002 0.000 0.196 315 E C 1.917 178.792 176.600 0.457 0.000 1.000 315 E CA 1.253 57.866 56.400 0.355 0.000 0.804 315 E CB 0.011 29.856 29.700 0.241 0.000 0.740 315 E HN 0.401 nan 8.360 nan 0.000 0.454 316 M N -0.067 119.731 119.600 0.330 0.000 2.200 316 M HA -0.049 4.432 4.480 0.002 0.000 0.265 316 M C 2.450 178.924 176.300 0.290 0.000 1.066 316 M CA 1.190 56.675 55.300 0.309 0.000 1.127 316 M CB -0.727 32.006 32.600 0.223 0.000 1.379 316 M HN 0.209 nan 8.290 nan 0.000 0.420 317 A N -0.183 122.811 122.820 0.290 0.000 1.933 317 A HA -0.227 4.094 4.320 0.002 0.000 0.218 317 A C 2.093 179.895 177.584 0.363 0.000 1.175 317 A CA 1.251 53.471 52.037 0.305 0.000 0.628 317 A CB -1.256 17.928 19.000 0.307 0.000 0.814 317 A HN 0.773 nan 8.150 nan 0.000 0.444 318 W N 0.604 122.019 121.300 0.192 0.000 2.381 318 W HA -0.140 4.521 4.660 0.002 0.000 0.301 318 W C 2.258 178.874 176.519 0.161 0.000 1.205 318 W CA 1.506 58.964 57.345 0.188 0.000 1.285 318 W CB -0.120 29.463 29.460 0.206 0.000 1.133 318 W HN 0.430 nan 8.180 nan 0.000 0.521 319 A N 1.121 123.968 122.820 0.044 0.000 1.902 319 A HA -0.130 4.191 4.320 0.002 0.000 0.217 319 A C 2.121 179.651 177.584 -0.090 0.000 1.181 319 A CA 2.625 54.506 52.037 -0.260 0.000 0.623 319 A CB -1.357 17.533 19.000 -0.184 0.000 0.818 319 A HN 0.331 nan 8.150 nan 0.000 0.443 320 A N -1.088 121.787 122.820 0.091 0.000 1.902 320 A HA -0.092 4.229 4.320 0.002 0.000 0.217 320 A C 2.306 179.973 177.584 0.139 0.000 1.181 320 A CA 2.319 54.450 52.037 0.156 0.000 0.623 320 A CB -1.304 17.804 19.000 0.179 0.000 0.818 320 A HN 0.432 nan 8.150 nan 0.000 0.443 321 T N -1.713 112.921 114.554 0.133 0.000 2.746 321 T HA -0.175 4.176 4.350 0.002 0.000 0.267 321 T C 1.743 176.400 174.700 -0.072 0.000 1.039 321 T CA 1.636 63.850 62.100 0.190 0.000 1.142 321 T CB -0.442 68.537 68.868 0.184 0.000 0.866 321 T HN 0.540 nan 8.240 nan 0.000 0.444 322 Y N 1.170 121.153 120.300 -0.528 0.000 2.165 322 Y HA -0.267 4.284 4.550 0.002 0.000 0.286 322 Y C 2.731 178.424 175.900 -0.346 0.000 1.155 322 Y CA 1.680 59.410 58.100 -0.617 0.000 1.164 322 Y CB -0.131 37.814 38.460 -0.858 0.000 0.978 322 Y HN 0.354 nan 8.280 nan 0.000 0.513 323 H N -1.680 117.401 119.070 0.018 0.000 2.389 323 H HA -0.118 4.439 4.556 0.002 0.000 0.299 323 H C 2.418 177.708 175.328 -0.064 0.000 1.081 323 H CA 1.622 57.659 56.048 -0.019 0.000 1.345 323 H CB -0.446 29.285 29.762 -0.052 0.000 1.393 323 H HN 0.281 nan 8.280 nan 0.000 0.520 324 V N 1.246 121.175 119.914 0.026 0.000 2.307 324 V HA -0.221 3.900 4.120 0.002 0.000 0.245 324 V C 2.810 178.853 176.094 -0.085 0.000 1.045 324 V CA 1.220 63.455 62.300 -0.109 0.000 1.024 324 V CB -0.657 30.876 31.823 -0.483 0.000 0.651 324 V HN 0.225 nan 8.190 nan 0.000 0.449 325 L N -0.734 120.468 121.223 -0.035 0.000 2.042 325 L HA -0.206 4.135 4.340 0.002 0.000 0.210 325 L C 2.424 179.332 176.870 0.063 0.000 1.076 325 L CA 1.527 56.350 54.840 -0.028 0.000 0.749 325 L CB -0.529 41.318 42.059 -0.354 0.000 0.893 325 L HN 0.294 nan 8.230 nan 0.000 0.432 326 L N -0.481 120.791 121.223 0.082 0.000 2.083 326 L HA -0.244 4.097 4.340 0.002 0.000 0.209 326 L C 2.609 179.429 176.870 -0.083 0.000 1.083 326 L CA 1.424 56.280 54.840 0.026 0.000 0.752 326 L CB -0.373 41.676 42.059 -0.017 0.000 0.899 326 L HN 0.364 nan 8.230 nan 0.000 0.433 327 E N -0.820 119.283 120.200 -0.161 0.000 2.112 327 E HA -0.173 4.178 4.350 0.002 0.000 0.190 327 E C 1.664 177.976 176.600 -0.480 0.000 0.979 327 E CA 1.086 57.275 56.400 -0.352 0.000 0.814 327 E CB 0.165 29.551 29.700 -0.524 0.000 0.762 327 E HN 0.607 nan 8.360 nan 0.000 0.460 328 H N -1.879 117.046 119.070 -0.242 0.000 2.855 328 H HA 0.160 4.717 4.556 0.002 0.000 0.259 328 H C -0.341 174.379 175.328 -1.014 0.000 0.972 328 H CA -0.403 55.375 56.048 -0.449 0.000 1.213 328 H CB 0.364 29.937 29.762 -0.315 0.000 1.451 328 H HN 0.050 nan 8.280 nan 0.000 0.484 329 F N 3.503 122.879 119.950 -0.956 0.000 2.612 329 F HA -0.041 4.487 4.527 0.002 0.000 0.389 329 F C -0.049 175.380 175.800 -0.617 0.000 1.055 329 F CA 0.157 57.571 58.000 -0.977 0.000 1.232 329 F CB 0.463 39.313 39.000 -0.250 0.000 1.044 329 F HN 0.100 nan 8.300 nan 0.000 0.560 330 Q N 8.350 127.396 119.800 -1.257 0.000 2.400 330 Q HA 0.301 4.642 4.340 0.002 0.000 0.255 330 Q C -2.365 173.139 176.000 -0.827 0.000 1.008 330 Q CA -2.146 53.236 55.803 -0.702 0.000 0.841 330 Q CB 1.114 29.647 28.738 -0.342 0.000 1.220 330 Q HN 0.426 nan 8.270 nan 0.000 0.474 331 P HA -0.064 nan 4.420 nan 0.000 0.265 331 P C 0.819 178.035 177.300 -0.140 0.000 1.193 331 P CA 0.970 63.934 63.100 -0.227 0.000 0.765 331 P CB 0.618 32.352 31.700 0.055 0.000 0.823 332 G N 1.921 110.684 108.800 -0.061 0.000 2.234 332 G HA2 -0.234 3.727 3.960 0.002 0.000 0.260 332 G HA3 -0.234 3.727 3.960 0.002 0.000 0.260 332 G C 0.176 175.058 174.900 -0.030 0.000 0.987 332 G CA 0.071 45.157 45.100 -0.023 0.000 0.625 332 G HN 0.659 nan 8.290 nan 0.000 0.532 333 D N 1.300 121.662 120.400 -0.063 0.000 2.336 333 D HA 0.396 5.037 4.640 0.002 0.000 0.249 333 D C -0.535 175.779 176.300 0.024 0.000 1.213 333 D CA -1.745 52.256 54.000 0.002 0.000 0.870 333 D CB 1.338 42.180 40.800 0.069 0.000 1.076 333 D HN 0.120 nan 8.370 nan 0.000 0.483 334 P HA -0.115 nan 4.420 nan 0.000 0.216 334 P C 0.779 178.076 177.300 -0.004 0.000 1.150 334 P CA 0.840 63.940 63.100 -0.000 0.000 0.837 334 P CB 0.420 32.106 31.700 -0.023 0.000 0.786 335 D N -1.914 118.465 120.400 -0.035 0.000 2.117 335 D HA -0.138 4.503 4.640 0.002 0.000 0.198 335 D C 1.959 178.189 176.300 -0.117 0.000 0.982 335 D CA 1.066 54.997 54.000 -0.115 0.000 0.828 335 D CB -0.676 40.007 40.800 -0.196 0.000 0.967 335 D HN 0.282 nan 8.370 nan 0.000 0.464 336 W N 1.723 123.007 121.300 -0.027 0.000 2.388 336 W HA -0.057 4.604 4.660 0.002 0.000 0.294 336 W C 2.493 179.111 176.519 0.164 0.000 1.212 336 W CA 0.478 57.828 57.345 0.008 0.000 1.271 336 W CB -0.024 29.293 29.460 -0.239 0.000 1.126 336 W HN 0.010 nan 8.180 nan 0.000 0.535 337 E N -0.069 120.331 120.200 0.333 0.000 2.106 337 E HA -0.252 4.099 4.350 0.002 0.000 0.192 337 E C 1.804 178.560 176.600 0.260 0.000 0.984 337 E CA 1.380 58.005 56.400 0.375 0.000 0.806 337 E CB -0.137 29.692 29.700 0.216 0.000 0.750 337 E HN 0.157 nan 8.360 nan 0.000 0.458 338 E N 0.801 121.085 120.200 0.140 0.000 2.107 338 E HA -0.142 4.209 4.350 0.002 0.000 0.191 338 E C 1.828 178.466 176.600 0.063 0.000 0.982 338 E CA 0.505 56.958 56.400 0.089 0.000 0.809 338 E CB -0.089 29.593 29.700 -0.029 0.000 0.756 338 E HN 0.061 nan 8.360 nan 0.000 0.459 339 L N 0.293 121.527 121.223 0.019 0.000 2.017 339 L HA -0.059 4.282 4.340 0.002 0.000 0.208 339 L C 2.297 179.215 176.870 0.081 0.000 1.073 339 L CA 1.461 56.280 54.840 -0.035 0.000 0.745 339 L CB -1.099 40.917 42.059 -0.072 0.000 0.894 339 L HN 0.355 nan 8.230 nan 0.000 0.432 340 L N -1.196 120.154 121.223 0.211 0.000 2.012 340 L HA -0.264 4.077 4.340 0.002 0.000 0.210 340 L C 2.386 179.344 176.870 0.147 0.000 1.073 340 L CA 1.903 56.802 54.840 0.099 0.000 0.748 340 L CB -0.977 41.057 42.059 -0.042 0.000 0.891 340 L HN 0.303 nan 8.230 nan 0.000 0.431 341 F N 0.187 120.175 119.950 0.064 0.000 2.134 341 F HA -0.203 4.325 4.527 0.002 0.000 0.299 341 F C 2.310 178.191 175.800 0.134 0.000 1.097 341 F CA 1.858 59.928 58.000 0.117 0.000 1.264 341 F CB -0.138 38.899 39.000 0.063 0.000 1.001 341 F HN 0.031 nan 8.300 nan 0.000 0.479 342 K N 0.353 120.671 120.400 -0.138 0.000 2.057 342 K HA -0.115 4.206 4.320 0.002 0.000 0.206 342 K C 2.046 178.568 176.600 -0.129 0.000 1.050 342 K CA 1.640 57.785 56.287 -0.237 0.000 0.935 342 K CB -0.360 32.026 32.500 -0.190 0.000 0.715 342 K HN 0.338 nan 8.250 nan 0.000 0.439 343 L N -0.547 120.675 121.223 -0.002 0.000 2.017 343 L HA -0.201 4.140 4.340 0.002 0.000 0.208 343 L C 2.418 179.356 176.870 0.114 0.000 1.073 343 L CA 1.355 56.275 54.840 0.134 0.000 0.745 343 L CB -0.503 41.678 42.059 0.203 0.000 0.894 343 L HN 0.364 nan 8.230 nan 0.000 0.432 344 W N 0.838 122.074 121.300 -0.108 0.000 2.358 344 W HA -0.209 4.452 4.660 0.002 0.000 0.303 344 W C 2.498 178.716 176.519 -0.502 0.000 1.208 344 W CA 2.051 59.172 57.345 -0.374 0.000 1.274 344 W CB -0.507 28.835 29.460 -0.197 0.000 1.138 344 W HN -0.033 nan 8.180 nan 0.000 0.515 345 T N 0.062 114.268 114.554 -0.579 0.000 2.684 345 T HA -0.291 4.060 4.350 0.002 0.000 0.267 345 T C 1.801 176.140 174.700 -0.602 0.000 1.036 345 T CA 3.080 64.714 62.100 -0.777 0.000 1.148 345 T CB -0.978 67.464 68.868 -0.710 0.000 0.863 345 T HN 0.431 nan 8.240 nan 0.000 0.436 346 T N 0.549 114.876 114.554 -0.380 0.000 2.821 346 T HA -0.092 4.259 4.350 0.002 0.000 0.267 346 T C 2.010 176.465 174.700 -0.408 0.000 1.046 346 T CA 1.114 63.044 62.100 -0.283 0.000 1.139 346 T CB -0.235 68.539 68.868 -0.157 0.000 0.871 346 T HN 0.129 nan 8.240 nan 0.000 0.454 347 R N 1.323 121.501 120.500 -0.537 0.000 2.081 347 R HA 0.062 4.403 4.340 0.002 0.000 0.235 347 R C 2.300 178.252 176.300 -0.580 0.000 1.131 347 R CA 1.445 57.171 56.100 -0.623 0.000 0.960 347 R CB -1.315 28.296 30.300 -1.148 0.000 0.856 347 R HN 0.392 nan 8.270 nan 0.000 0.436 348 V N 0.798 120.249 119.914 -0.772 0.000 2.343 348 V HA -0.218 3.903 4.120 0.002 0.000 0.247 348 V C 2.369 178.216 176.094 -0.413 0.000 1.051 348 V CA 1.858 63.755 62.300 -0.671 0.000 1.036 348 V CB -0.474 30.693 31.823 -1.093 0.000 0.654 348 V HN 0.269 nan 8.190 nan 0.000 0.451 349 L N 0.364 121.275 121.223 -0.520 0.000 2.046 349 L HA -0.191 4.150 4.340 0.002 0.000 0.208 349 L C 2.596 179.142 176.870 -0.540 0.000 1.077 349 L CA 1.901 56.374 54.840 -0.611 0.000 0.747 349 L CB -0.764 40.709 42.059 -0.977 0.000 0.896 349 L HN 0.448 nan 8.230 nan 0.000 0.432 350 N N 0.060 118.575 118.700 -0.307 0.000 2.058 350 N HA -0.294 4.447 4.740 0.002 0.000 0.191 350 N C 2.088 177.522 175.510 -0.127 0.000 1.037 350 N CA 1.853 54.865 53.050 -0.062 0.000 0.848 350 N CB -0.236 38.215 38.487 -0.059 0.000 1.021 350 N HN 0.372 nan 8.380 nan 0.000 0.422 351 Y N 1.706 121.841 120.300 -0.274 0.000 2.207 351 Y HA -0.169 4.382 4.550 0.002 0.000 0.287 351 Y C 2.365 178.111 175.900 -0.256 0.000 1.156 351 Y CA 2.249 60.175 58.100 -0.291 0.000 1.182 351 Y CB -0.774 37.509 38.460 -0.295 0.000 0.979 351 Y HN 0.015 nan 8.280 nan 0.000 0.521 352 T N 0.996 115.356 114.554 -0.323 0.000 2.708 352 T HA -0.153 4.198 4.350 0.002 0.000 0.266 352 T C 1.705 176.195 174.700 -0.350 0.000 1.037 352 T CA 1.876 63.765 62.100 -0.351 0.000 1.146 352 T CB -0.169 68.628 68.868 -0.118 0.000 0.865 352 T HN 0.294 nan 8.240 nan 0.000 0.435 353 M N 1.473 120.915 119.600 -0.264 0.000 2.388 353 M HA 0.090 4.571 4.480 0.002 0.000 0.265 353 M C 2.439 178.622 176.300 -0.196 0.000 1.088 353 M CA 1.105 56.301 55.300 -0.173 0.000 1.134 353 M CB -1.610 30.979 32.600 -0.020 0.000 1.384 353 M HN 0.411 nan 8.290 nan 0.000 0.447 354 T N -3.458 110.947 114.554 -0.247 0.000 3.022 354 T HA 0.252 4.603 4.350 0.002 0.000 0.250 354 T C 1.535 176.012 174.700 -0.371 0.000 1.060 354 T CA 0.191 62.139 62.100 -0.255 0.000 1.013 354 T CB 0.099 68.855 68.868 -0.187 0.000 0.982 354 T HN 0.099 nan 8.240 nan 0.000 0.508 355 V N 0.542 120.148 119.914 -0.513 0.000 3.278 355 V HA 0.477 4.598 4.120 0.002 0.000 0.215 355 V C 2.887 178.691 176.094 -0.483 0.000 1.287 355 V CA 0.437 62.420 62.300 -0.528 0.000 1.302 355 V CB -0.693 30.632 31.823 -0.830 0.000 1.228 355 V HN 0.414 nan 8.190 nan 0.000 0.523 356 A N 0.045 122.442 122.820 -0.705 0.000 1.972 356 A HA -0.154 4.167 4.320 0.002 0.000 0.219 356 A C 2.018 179.449 177.584 -0.255 0.000 1.169 356 A CA 1.895 53.670 52.037 -0.437 0.000 0.635 356 A CB -0.505 18.239 19.000 -0.426 0.000 0.810 356 A HN 0.399 nan 8.150 nan 0.000 0.446 357 L N -0.069 120.988 121.223 -0.275 0.000 2.362 357 L HA -0.029 4.312 4.340 0.002 0.000 0.219 357 L C 2.182 178.935 176.870 -0.195 0.000 1.134 357 L CA 1.376 56.096 54.840 -0.200 0.000 0.807 357 L CB -0.553 41.390 42.059 -0.194 0.000 0.927 357 L HN 0.347 nan 8.230 nan 0.000 0.447 358 R N -0.374 119.966 120.500 -0.268 0.000 2.276 358 R HA 0.321 4.662 4.340 0.002 0.000 0.203 358 R C 0.700 176.919 176.300 -0.135 0.000 1.017 358 R CA 0.564 56.484 56.100 -0.300 0.000 1.010 358 R CB -0.165 29.721 30.300 -0.690 0.000 0.900 358 R HN 0.442 nan 8.270 nan 0.000 0.469 359 G N -0.463 108.300 108.800 -0.062 0.000 2.459 359 G HA2 -0.276 3.685 3.960 0.002 0.000 0.685 359 G HA3 -0.276 3.685 3.960 0.002 0.000 0.685 359 G C -0.345 174.619 174.900 0.107 0.000 1.303 359 G CA -0.468 44.656 45.100 0.039 0.000 0.907 359 G HN 0.110 nan 8.290 nan 0.000 0.632 360 Y N 0.390 120.713 120.300 0.039 0.000 2.145 360 Y HA -0.089 4.462 4.550 0.002 0.000 0.286 360 Y C 2.572 178.524 175.900 0.086 0.000 1.145 360 Y CA 2.789 60.925 58.100 0.060 0.000 1.148 360 Y CB 0.088 38.581 38.460 0.056 0.000 0.981 360 Y HN 0.566 nan 8.280 nan 0.000 0.507 361 D N -0.984 119.553 120.400 0.227 0.000 2.117 361 D HA -0.238 4.403 4.640 0.002 0.000 0.197 361 D C 1.905 178.245 176.300 0.067 0.000 0.987 361 D CA 1.604 55.694 54.000 0.150 0.000 0.829 361 D CB -0.796 40.105 40.800 0.168 0.000 0.961 361 D HN 0.499 nan 8.370 nan 0.000 0.460 362 Y N 1.460 121.752 120.300 -0.014 0.000 2.181 362 Y HA -0.202 4.349 4.550 0.002 0.000 0.288 362 Y C 2.293 178.163 175.900 -0.050 0.000 1.146 362 Y CA 1.898 59.980 58.100 -0.030 0.000 1.164 362 Y CB -0.184 38.245 38.460 -0.052 0.000 0.982 362 Y HN -0.047 nan 8.280 nan 0.000 0.515 363 A N 0.034 122.891 122.820 0.061 0.000 1.902 363 A HA -0.210 4.111 4.320 0.002 0.000 0.217 363 A C 2.094 179.589 177.584 -0.148 0.000 1.181 363 A CA 1.724 53.739 52.037 -0.036 0.000 0.623 363 A CB -0.630 18.305 19.000 -0.110 0.000 0.818 363 A HN 0.520 nan 8.150 nan 0.000 0.443 364 Q N -0.196 119.459 119.800 -0.241 0.000 2.050 364 Q HA -0.251 4.090 4.340 0.002 0.000 0.202 364 Q C 2.286 178.266 176.000 -0.033 0.000 0.980 364 Q CA 2.153 57.850 55.803 -0.177 0.000 0.840 364 Q CB -0.586 28.087 28.738 -0.109 0.000 0.898 364 Q HN 0.986 nan 8.270 nan 0.000 0.424 365 Q N -0.574 119.192 119.800 -0.058 0.000 2.124 365 Q HA -0.196 4.145 4.340 0.002 0.000 0.202 365 Q C 1.911 177.819 176.000 -0.153 0.000 0.977 365 Q CA 1.708 57.473 55.803 -0.063 0.000 0.850 365 Q CB -1.073 27.594 28.738 -0.119 0.000 0.901 365 Q HN 0.445 nan 8.270 nan 0.000 0.429 366 Y N 0.952 121.041 120.300 -0.352 0.000 2.145 366 Y HA -0.149 4.402 4.550 0.002 0.000 0.286 366 Y C 1.724 177.434 175.900 -0.317 0.000 1.145 366 Y CA 1.726 59.620 58.100 -0.343 0.000 1.148 366 Y CB -0.123 38.153 38.460 -0.307 0.000 0.981 366 Y HN 0.136 nan 8.280 nan 0.000 0.507 367 L N -1.125 119.791 121.223 -0.512 0.000 2.046 367 L HA -0.257 4.084 4.340 0.002 0.000 0.208 367 L C 2.200 178.605 176.870 -0.774 0.000 1.077 367 L CA 1.501 55.776 54.840 -0.942 0.000 0.747 367 L CB -0.805 40.202 42.059 -1.753 0.000 0.896 367 L HN 0.249 nan 8.230 nan 0.000 0.432 368 Y N -0.199 119.886 120.300 -0.357 0.000 2.242 368 Y HA -0.183 4.368 4.550 0.002 0.000 0.291 368 Y C 2.744 178.499 175.900 -0.242 0.000 1.137 368 Y CA 1.130 59.140 58.100 -0.150 0.000 1.181 368 Y CB -0.344 38.078 38.460 -0.064 0.000 0.989 368 Y HN 0.012 nan 8.280 nan 0.000 0.527 369 R N -0.526 119.855 120.500 -0.198 0.000 2.115 369 R HA -0.153 4.188 4.340 0.002 0.000 0.230 369 R C 2.360 178.428 176.300 -0.387 0.000 1.111 369 R CA 1.337 57.285 56.100 -0.253 0.000 0.976 369 R CB -0.320 29.830 30.300 -0.251 0.000 0.870 369 R HN 0.395 nan 8.270 nan 0.000 0.445 370 M N 0.800 120.015 119.600 -0.641 0.000 2.067 370 M HA -0.196 4.285 4.480 0.002 0.000 0.260 370 M C 1.872 177.839 176.300 -0.556 0.000 1.069 370 M CA 1.773 56.625 55.300 -0.747 0.000 1.117 370 M CB -0.040 32.007 32.600 -0.921 0.000 1.334 370 M HN 0.158 nan 8.290 nan 0.000 0.407 371 L N -0.305 120.738 121.223 -0.299 0.000 2.083 371 L HA -0.137 4.204 4.340 0.002 0.000 0.209 371 L C 2.646 179.452 176.870 -0.107 0.000 1.083 371 L CA 1.310 56.082 54.840 -0.114 0.000 0.752 371 L CB -1.407 40.607 42.059 -0.075 0.000 0.899 371 L HN 0.519 nan 8.230 nan 0.000 0.433 372 G N -0.191 108.525 108.800 -0.140 0.000 2.418 372 G HA2 -0.236 3.725 3.960 0.002 0.000 0.217 372 G HA3 -0.236 3.725 3.960 0.002 0.000 0.217 372 G C 1.762 176.664 174.900 0.003 0.000 1.158 372 G CA 0.405 45.469 45.100 -0.060 0.000 0.771 372 G HN 0.282 nan 8.290 nan 0.000 0.545 373 R N -0.901 119.556 120.500 -0.071 0.000 2.092 373 R HA 0.005 4.346 4.340 0.002 0.000 0.231 373 R C 2.339 178.739 176.300 0.168 0.000 1.119 373 R CA 1.116 57.225 56.100 0.014 0.000 0.970 373 R CB -0.436 29.806 30.300 -0.095 0.000 0.864 373 R HN 0.543 nan 8.270 nan 0.000 0.440 374 Y N 0.300 120.620 120.300 0.033 0.000 2.200 374 Y HA -0.181 4.370 4.550 0.002 0.000 0.290 374 Y C 2.633 178.542 175.900 0.015 0.000 1.137 374 Y CA 0.626 58.736 58.100 0.018 0.000 1.163 374 Y CB 0.010 38.454 38.460 -0.026 0.000 0.988 374 Y HN 0.036 nan 8.280 nan 0.000 0.518 375 R N -0.625 119.984 120.500 0.182 0.000 2.083 375 R HA -0.243 4.098 4.340 0.002 0.000 0.237 375 R C 2.146 178.513 176.300 0.111 0.000 1.137 375 R CA 2.055 58.218 56.100 0.104 0.000 0.951 375 R CB -0.758 29.607 30.300 0.108 0.000 0.851 375 R HN 0.416 nan 8.270 nan 0.000 0.434 376 Y N 1.595 121.923 120.300 0.047 0.000 2.114 376 Y HA -0.328 4.223 4.550 0.002 0.000 0.284 376 Y C 2.757 178.686 175.900 0.048 0.000 1.143 376 Y CA 2.025 60.154 58.100 0.049 0.000 1.135 376 Y CB -0.126 38.366 38.460 0.053 0.000 0.980 376 Y HN 0.107 nan 8.280 nan 0.000 0.499 377 Q N 0.168 120.024 119.800 0.093 0.000 2.061 377 Q HA -0.239 4.102 4.340 0.002 0.000 0.204 377 Q C 2.299 178.268 176.000 -0.052 0.000 0.984 377 Q CA 1.766 57.574 55.803 0.008 0.000 0.846 377 Q CB -0.405 28.420 28.738 0.145 0.000 0.902 377 Q HN 0.596 nan 8.270 nan 0.000 0.421 378 A N 0.656 123.465 122.820 -0.019 0.000 1.930 378 A HA -0.053 4.268 4.320 0.002 0.000 0.217 378 A C 2.279 179.802 177.584 -0.103 0.000 1.175 378 A CA 1.538 53.541 52.037 -0.056 0.000 0.627 378 A CB -0.896 18.071 19.000 -0.055 0.000 0.815 378 A HN 0.572 nan 8.150 nan 0.000 0.443 379 A N -0.367 122.370 122.820 -0.138 0.000 1.972 379 A HA -0.002 4.319 4.320 0.002 0.000 0.219 379 A C 2.101 179.640 177.584 -0.076 0.000 1.169 379 A CA 1.414 53.371 52.037 -0.133 0.000 0.635 379 A CB -0.488 18.427 19.000 -0.142 0.000 0.810 379 A HN 0.472 nan 8.150 nan 0.000 0.446 380 L N -0.174 120.947 121.223 -0.170 0.000 2.240 380 L HA -0.030 4.311 4.340 0.002 0.000 0.211 380 L C 1.693 178.505 176.870 -0.096 0.000 1.106 380 L CA 0.583 55.325 54.840 -0.164 0.000 0.793 380 L CB -0.419 41.470 42.059 -0.284 0.000 0.927 380 L HN 0.677 nan 8.230 nan 0.000 0.446 381 E N 0.000 120.146 120.200 -0.090 0.000 2.725 381 E HA 0.000 4.351 4.350 0.002 0.000 0.291 381 E CA 0.000 56.353 56.400 -0.079 0.000 0.976 381 E CB 0.000 29.641 29.700 -0.098 0.000 0.812 381 E HN 0.000 nan 8.360 nan 0.000 0.440